NMR Frequency Tables

Transcription

2
H
H
H
He
Li
Li
Be
B
B
C
N
N
O
F
Ne
Na
Mg
Al
Si
P
S
Cl
Cl
K
K
Ca
Sc
Ti
Ti
V
V
Cr
Mn
Fe
Co
Ni
Cu
Cu
Zn
Ga
Ga
1
2
3
3
6
7
9
10
11
13
14
15
17
19
21
23
25
27
29
31
33
35
37
39
41
43
45
47
49
50
51
53
55
57
59
61
63
65
67
69
71
Isotope
1/2
1
1/2
1/2
1
3/2
3/2
3
3/2
1/2
1
1/2
5/2
1/2
3/2
3/2
5/2
5/2
1/2
1/2
3/2
3/2
3/2
3/2
3/2
7/2
7/2
5/2
7/2
6
7/2
3/2
5/2
1/2
7/2
3/2
3/2
3/2
5/2
3/2
3/2
Spin
(%)
99.9885
0.0115
1.34E-04
7.59 92.41 100.0 19.9 80.1 1.07 99.636 0.364
0.038
100.0 0.27 100.0 10.00 100.0 4.685
100.0 0.75 75.76 24.24 93.258 6.730
0.135
100.0 7.44 5.41 0.250
99.750 9.501
100.0 2.119
100.0 1.1399
69.15 30.85 4.102
60.108 39.892 Nat.
Abund.
Natural rel.13C 5.87E+03
6.52E−03
-
3.48E−03
3.79E+00
1.59E+03
8.15E+01
2.32E+01
7.77E+02
1.00E+00
5.90E+00
2.23E−02
6.50E−02
4.89E+03
3.91E−02
5.45E+02
1.58E+00
1.22E+03
2.16E+00
3.91E+02
1.00E−01
2.10E+01
3.88E+00
2.79E+00
3.34E−02
5.10E−02
1.78E+03
9.18E−01
1.20E+00
8.18E−01
2.25E+03
5.07E−01
1.05E+03
4.25E−03
1.64E+03
2.40E−01
3.82E+02
2.08E+02
6.92E−01
2.46E+02
3.35E+02
Molar
rel.1H
1.00E+00
9.65E−03
1.21E+00
4.42E−01
8.50E−03
2.94E−01
1.39E−02
1.99E−02
1.65E−01
1.59E−02
1.01E−03
1.04E−03
2.91E−02
8.32E−01
2.46E−03
9.27E−02
2.68E−03
2.07E−01
7.86E−03
6.65E−02
2.27E−03
4.72E−03
2.72E−03
5.10E−04
8.44E−05
6.43E−03
3.02E−01
2.10E−03
3.78E−03
5.57E−02
3.84E−01
9.08E−04
1.79E−01
3.42E−05
2.78E−01
3.59E−03
9.39E−02
1.15E−01
2.87E−03
6.97E−02
1.43E−01
Receptivity 7.04925
300.130
46.072
320.131
228.636
44.167
116.642
42.174
32.245
96.294
75.468
21.688
30.423
40.687
282.404
23.693
79.390
18.373
78.204
59.627
121.495
23.038
29.406
24.478
14.005
7.687
20.199
72.907
16.920
16.924
29.924
78.943
16.965
74.400
9.718
71.212
26.820
79.581
85.248
18.779
72.035
91.530
9.39798
400.130
61.422
426.795
304.815
58.883
155.506
56.226
42.989
128.378
100.613
28.915
40.560
54.243
376.498
31.587
105.842
24.494
104.261
79.495
161.976
30.714
39.204
32.634
18.672
10.249
26.929
97.199
22.557
22.563
39.894
105.246
22.617
99.189
12.955
94.939
35.756
106.096
113.652
25.035
96.037
122.026
11.7467
500.130
76.773
533.459
380.994
73.600
194.370
70.277
53.732
160.462
125.758
36.141
50.697
67.800
470.592
39.482
132.294
30.616
130.318
99.362
202.457
38.390
49.002
40.789
23.338
12.810
33.659
121.490
28.195
28.203
49.865
131.549
28.270
123.978
16.193
118.666
44.692
132.612
142.055
31.292
120.038
152.523
14.0954
600.130
92.124
640.123
457.173
88.316
233.233
84.329
64.476
192.546
150.903
43.367
60.834
81.356
564.686
47.376
158.746
36.738
156.375
119.229
242.938
46.066
58.800
48.945
28.004
15.371
40.389
145.782
33.833
33.842
59.835
157.852
33.922
148.768
19.431
142.393
53.628
159.127
170.459
37.549
144.039
183.020
16.4442
700.130
107.474
746.786
533.352
103.032
272.097
98.381
75.220
224.630
176.048
50.594
70.971
94.913
658.780
55.270
185.198
42.859
182.432
139.096
283.419
53.742
68.598
57.101
32.671
17.932
47.119
170.074
39.470
39.481
69.805
184.155
39.575
173.557
22.669
166.120
62.564
185.643
198.863
43.806
168.041
213.517
17.6185
750.130
115.150
800.118
571.441
110.390
291.529
105.407
80.591
240.672
188.620
54.207
76.039
101.691
705.827
59.217
198.424
45.920
195.460
149.030
303.659
57.580
73.497
61.179
35.004
19.213
50.484
182.220
42.289
42.300
74.790
197.306
42.401
185.951
24.288
177.984
67.032
198.901
213.065
46.934
180.041
228.765
18.7929
800.130
122.825
853.450
609.531
117.748
310.961
112.433
85.963
256.714
201.193
57.820
81.107
108.469
752.874
63.165
211.650
48.981
208.489
158.963
323.900
61.418
78.396
65.256
37.337
20.494
53.849
194.366
45.108
45.120
79.775
210.458
45.227
198.346
25.906
189.847
71.500
212.158
227.266
50.063
192.042
244.013
19.9673
850.130
130.500
906.782
647.620
125.106
330.393
119.459
91.335
272.755
213.765
61.433
86.176
115.248
799.921
67.112
224.876
52.042
221.517
168.897
344.140
65.256
83.295
69.334
39.670
21.774
57.214
206.511
47.926
47.939
84.761
223.609
48.054
210.741
27.525
201.711
75.968
225.416
241.468
53.191
204.043
259.262
21.1416
900.130
138.175
960.114
685.710
132.464
349.825
126.485
96.707
288.797
226.338
65.046
91.244
122.026
846.968
71.059
238.101
55.103
234.546
178.831
364.380
69.094
88.194
73.412
42.003
23.055
60.579
218.657
50.745
50.759
89.746
236.761
50.880
223.135
29.144
213.575
80.436
238.674
255.670
56.319
216.043
274.510
22.3160
950.130
145.851
1013.446
723.799
139.822
369.257
133.510
102.079
304.839
238.910
68.659
96.312
128.804
894.015
75.006
251.327
58.163
247.574
188.764
384.621
72.932
93.093
77.490
44.337
24.336
63.944
230.803
53.564
53.578
94.731
249.912
53.706
235.530
30.763
225.438
84.904
251.931
269.872
59.448
228.044
289.758
23.4904
1000.130
153.526
1066.778
761.889
147.180
388.688
140.536
107.451
320.881
251.483
72.273
101.381
135.582
941.062
78.953
264.553
61.224
260.602
198.698
404.861
76.770
97.992
81.568
46.670
25.616
67.309
242.949
56.383
56.398
99.716
263.064
56.532
247.924
32.382
237.302
89.372
265.189
284.074
62.576
240.045
305.007
LarmorFrequencies(MHz)vs.BrukerFieldStrengths(Tesla)
Freq.to3decimalsareexperimentalforIUPACStandards;freq.to2dec.arecalculatedfrommagn.moments
NMRFrequencyTables
NMRFrequenciesvs.BrukerFieldStrengths–sortedbyincreasingatomicnumber
Ge
As
Se
Br
Br
Kr
Rb
Rb
Sr
Y
Zr
Nb
Mo
Mo
Tc
Ru
Ru
Rh
Pd
Ag
Ag
Cd
Cd
In
In
Sn
Sn
Sn
Sb
Sb
Te
Te
I
Xe
Xe
Cs
Ba
Ba
La
La
Pr
73
75
77
79
81
83
85
87
87
89
91
93
95
97
99
99
101
103
105
107
109
111
113
113
115
115
117
119
121
123
123
125
127
129
131
133
135
137
138
139
141
Isotope
9/2
3/2
1/2
3/2
3/2
9/2
5/2
3/2
9/2
1/2
5/2
9/2
5/2
5/2
9/2
5/2
5/2
1/2
5/2
1/2
1/2
1/2
1/2
9/2
9/2
1/2
1/2
1/2
5/2
7/2
1/2
1/2
5/2
1/2
3/2
7/2
3/2
3/2
5
7/2
5/2
Spin
(%)
7.76 100.0 7.63 50.69 49.31 11.500 72.17 27.83 7.00 100.0 11.22 100.0 15.90 9.56 12.76 17.06 100.0 22.33 51.839 48.161 12.80 12.22 4.29 95.71 0.34 7.68 8.59 57.21 42.79 0.89 7.07 100.0 26.4006
21.2324
100.0 6.592
11.232 0.090
99.910 100.0 Nat.
Abund.
Natural rel.13C 6.44E−01
1.49E+02
3.15E+00
2.37E+02
2.88E+02
1.28E+00
4.50E+01
2.90E+02
1.12E+00
7.00E−01
6.26E+00
2.87E+03
3.06E+00
1.96E+00
-
8.46E−01
1.58E+00
1.86E−01
1.49E+00
2.05E−01
2.90E−01
7.27E+00
7.94E+00
8.85E+01
1.99E+03
7.11E−01
2.08E+01
2.66E+01
5.48E+02
1.17E+02
9.61E−01
1.34E+01
5.60E+02
3.35E+01
3.51E+00
2.84E+02
1.94E+00
4.62E+00
4.97E−01
3.56E+02
1.97E+03
Molar
7.04925 9.39798 11.7467 14.0954 16.4442 17.6185 18.7929 19.9673 21.1416 22.3160 23.4904
rel.1H
1.41E−03 10.469 13.958 17.446 20.934 24.423 26.167 27.911 29.655 31.399 33.144 34.888
2.54E−02 51.390 68.513 85.635 102.758 119.881 128.442 137.003 145.564 154.126 162.687 171.248
7.03E−03 57.239 76.311 95.382 114.454 133.525 143.061 152.597 162.133 171.668 181.204 190.740
7.94E−02 75.195 100.248 125.302 150.356 175.410 187.937 200.464 212.991 225.518 238.045 250.572
9.95E−02 81.055 108.061 135.068 162.074 189.081 202.584 216.087 229.591 243.094 256.597 270.100
1.90E−03 11.548 15.395 19.243 23.091 26.938 28.862 30.786 32.710 34.633 36.557 38.481
1.06E−02 28.977 38.632 48.287 57.942 67.597 72.425 77.252 82.080 86.907 91.735 96.562
1.77E−01 98.204 130.924 163.645 196.365 229.086 245.446 261.806 278.166 294.527 310.887 327.247
2.72E−03 13.007 17.341 21.675 26.009 30.342 32.509 34.676 36.843 39.010 41.177 43.344
1.19E−04 14.707 19.607 24.507 29.408 34.308 36.758 39.208 41.658 44.108 46.558 49.008
9.49E−03 27.901 37.197 46.494 55.790 65.086 69.734 74.382 79.031 83.679 88.327 92.975
4.88E−01 73.460 97.936 122.413 146.889 171.365 183.603 195.841 208.079 220.317 232.555 244.794
3.27E−03 19.559 26.076 32.593 39.110 45.627 48.885 52.144 55.402 58.661 61.919 65.178
3.49E−03 19.970 26.623 33.277 39.931 46.585 49.911 53.238 56.565 59.892 63.219 66.546
3.82E−01 67.554 90.063 112.571 135.079 157.588 168.842 180.096 191.350 202.604 213.858 225.113
1.13E−03 13.821 18.427 23.032 27.637 32.242 34.545 36.847 39.150 41.452 43.755 46.057
1.57E−03 15.491 20.652 25.814 30.975 36.136 38.717 41.298 43.878 46.459 49.040 51.620
3.17E−05
9.563 12.750 15.936 19.123 22.309 23.902 25.496 27.089 28.682 30.275 31.869
1.13E−03 13.734 18.310 22.886 27.463 32.039 34.327 36.615 38.903 41.191 43.479 45.767
6.74E−05 12.149 16.197 20.244 24.292 28.340 30.364 32.388 34.412 36.436 38.460 40.483
1.02E−04 13.967 18.620 23.274 27.927 32.581 34.908 37.234 39.561 41.888 44.215 46.541
9.66E−03 63.674 84.890 106.105 127.320 148.536 159.144 169.751 180.359 190.967 201.575 212.182
1.11E−02 66.608 88.802 110.995 133.188 155.381 166.478 177.574 188.671 199.767 210.864 221.961
3.51E−01 65.626 87.491 109.357 131.223 153.089 164.022 174.954 185.887 196.820 207.753 218.686
3.53E−01 65.766 87.679 109.592 131.504 153.417 164.373 175.330 186.286 197.242 208.198 219.155
3.56E−02 98.199 130.918 163.636 196.355 229.074 245.433 261.793 278.152 294.511 310.871 327.230
4.60E−02 106.943 142.575 178.208 213.840 249.472 267.288 285.104 302.921 320.737 338.553 356.369
5.27E−02 111.920 149.211 186.502 223.792 261.083 279.728 298.374 317.019 335.664 354.309 372.955
1.63E−01 71.823 95.753 119.684 143.615 167.545 179.510 191.476 203.441 215.406 227.372 239.337
4.66E−02 38.894 51.854 64.813 77.772 90.731 97.211 103.691 110.170 116.650 123.129 129.609
1.84E−02 78.543 104.713 130.883 157.052 183.222 196.307 209.392 222.477 235.562 248.647 261.731
3.22E−02 94.690 126.240 157.790 189.340 220.889 236.664 252.439 268.214 283.989 299.764 315.539
9.54E−02 60.048 80.056 100.063 120.071 140.078 150.082 160.086 170.090 180.093 190.097 200.101
2.16E−02 83.467 111.277 139.087 166.897 194.707 208.613 222.518 236.423 250.328 264.233 278.138
2.82E−03 24.742 32.986 41.230 49.474 57.718 61.840 65.962 70.084 74.206 78.328 82.450
4.84E−02 39.365 52.482 65.598 78.714 91.830 98.388 104.946 111.504 118.062 124.620 131.178
5.01E−03 29.816 39.751 49.685 59.620 69.554 74.521 79.489 84.456 89.423 94.390 99.357
7.00E−03 33.353 44.466 55.579 66.692 77.805 83.361 88.918 94.474 100.031 105.587 111.144
9.40E−02 39.600 52.794 65.989 79.183 92.377 98.974 105.572 112.169 118.766 125.363 131.960
6.06E−02 42.395 56.521 70.647 84.772 98.898 105.961 113.023 120.086 127.149 134.212 141.275
3.35E−01 91.89 122.51 153.12 183.74 214.36 229.67 244.97 260.28 275.59 290.90 306.21
Receptivity NMRFrequencyTables
3
4
143
145
147
149
151
153
155
157
159
161
163
165
167
169
171
173
175
176
177
179
181
183
185
187
187
189
191
193
195
197
199
201
203
205
207
209
209
231
235
Nd
Nd
Sm
Sm
Eu
Eu
Gd
Gd
Tb
Dy
Dy
Ho
Er
Tm
Yb
Yb
Lu
Lu
Hf
Hf
Ta
W
Re
Re
Os
Os
Ir
Ir
Pt
Au
Hg
Hg
Tl
Tl
Pb
Bi
Po
Pa
U
Isotope
7/2
7/2
7/2
7/2
5/2
5/2
3/2
3/2
3/2
5/2
5/2
7/2
7/2
1/2
1/2
5/2
7/2
7
7/2
9/2
7/2
1/2
5/2
5/2
1/2
3/2
3/2
3/2
1/2
3/2
1/2
3/2
1/2
1/2
1/2
9/2
1/2
3/2
7/2
Spin
12.2 8.3 14.99 13.82 47.81 52.19 14.80 15.65 100.0 18.889 24.896 100.0 22.869 100.0 14.28 16.13 97.41 2.59 18.60 13.62 99.988 14.31 37.40 62.60 1.96 16.15 37.3 62.7 33.832 100.0 16.87 13.18 29.52 70.48 22.1 100.0 100.0 0.7204
(%)
Nat.
Abund.
3.87E−01
1.34E+00
6.92E−01
5.04E+02
4.73E+01
1.26E−01
3.00E−01
4.08E+02
5.26E−01
1.91E+00
1.16E+03
6.77E−01
3.32E+00
4.63E+00
1.28E+00
1.79E+02
6.05E+00
1.53E+00
4.38E−01
2.20E+02
6.31E−02
3.05E+02
5.26E+02
1.43E−03
2.32E+00
6.38E−02
1.37E−01
2.07E+01
1.62E−01
5.89E+00
1.16E+00
3.40E+02
8.36E+02
1.18E+01
8.48E+02
-
4.06E+02
6.53E−03
43.59 26.85 33.35 27.49 198.92 87.80 24.56 32.21 192.33 27.50 38.56 169.11 23.08 66.18 140.017
38.96 91.36 64.85 32.48 20.40 95.932
33.337
180.226
182.042
18.262
62.133
14.39 15.63 172.002
14.15 143.310
52.901
457.060
461.546
167.392
128.575
194.81 191.95 14.734
46.31 28.53 35.43 29.21 211.35 93.29 26.10 34.22 204.35 29.22 40.97 179.68 24.52 70.32 148.767
41.39 97.07 68.90 34.51 21.68 101.927
35.420
191.488
193.418
19.403
66.016
15.29 16.61 182.751
15.03 152.265
56.207
485.621
490.388
177.852
136.610
206.99 203.94 15.654
49.04 30.20 37.52 30.93 223.78 98.78 27.63 36.24 216.37 30.94 43.38 190.25 25.96 74.45 157.517
43.83 102.78 72.95 36.53 22.95 107.922
37.503
202.751
204.794
20.544
69.899
16.19 17.59 193.499
15.92 161.221
59.513
514.183
519.230
188.313
144.644
219.16 215.94 16.575
51.76
31.88
39.60
32.64
236.22
104.26
29.17
38.25
228.39
32.66
45.79
200.82
27.40
78.59
166.266
46.26
108.49
77.01
38.56
24.23
113.917
39.586
214.013
216.170
21.685
73.781
17.09
18.56
204.247
16.80
170.176
62.819
542.745
548.071
198.773
152.679
231.34
227.93
17.496
54.48
33.56
41.68
34.36
248.65
109.75
30.70
40.26
240.41
34.38
48.20
211.38
28.85
82.72
175.016
48.69
114.20
81.06
40.59
25.50
119.912
41.669
225.275
227.546
22.826
77.664
17.99
19.54
214.996
17.69
179.132
66.124
571.306
576.913
209.233
160.714
243.51
239.93
18.416
18.7929 19.9673 21.1416 22.3160 23.4904
Molar
7.04925 9.39798 11.7467 14.0954 16.4442 17.6185
rel.1H
3.39E−03 16.35 21.80 27.25 32.69 38.14 40.86 7.93E−04 10.07 13.43 16.78 20.14 23.49 25.17 1.52E−03 12.51 16.68 20.84 25.01 29.18 31.26 8.52E−04 10.31 13.75 17.18 20.62 24.06 25.77 1.79E−01 74.62 99.48 124.34 149.20 174.06 186.49 1.54E−02 32.94 43.91 54.88 65.86 76.83 82.32 1.45E−04
9.21 12.28 15.35 18.42 21.49 23.03 3.26E−04 12.08 16.11 20.13 24.16 28.19 30.20 6.94E−02 72.14 96.18 120.22 144.26 168.29 180.31 4.74E−04 10.32 13.75 17.19 20.63 24.07 25.78 1.31E−03 14.46 19.28 24.10 28.92 33.74 36.15 1.98E−01 63.43 84.57 105.71 126.84 147.98 158.54 5.04E−04
8.66 11.54 14.42 17.31 20.19 21.63 5.66E−04 24.82 33.10 41.37 49.64 57.91 62.04 5.52E−03 52.521 70.020 87.519 105.019 122.518 131.268
1.35E−03 14.61 19.48 24.35 29.22 34.09 36.52 3.13E−02 34.27 45.69 57.11 68.53 79.94 85.65 3.98E−02 24.33 32.43 40.53 48.64 56.74 60.80 1.40E−03 12.18 16.24 20.30 24.36 28.42 30.45 5.47E−04
7.65 10.20 12.75 15.30 17.85 19.13 3.74E−02 35.984 47.974 59.964 71.953 83.943 89.938
7.50E−05 12.505 16.671 20.837 25.004 29.170 31.253
1.39E−01 67.603 90.128 112.652 135.177 157.701 168.964
1.43E−01 68.284 91.036 113.788 136.539 159.291 170.667
1.24E−05
6.850
9.132 11.415 13.697 15.979 17.120
2.44E−03 23.306 31.072 38.837 46.602 54.368 58.251
2.91E−05
5.40 7.20 9.00 10.79 12.59 13.49 3.73E−05
5.86 7.82 9.77 11.73 13.68 14.66 1.04E−02 64.518 86.015 107.512 129.009 150.505 161.254
2.76E−05
5.31 7.08 8.84 10.61 12.38 13.26 5.94E−03 53.756 71.667 89.577 107.488 125.399 134.354
1.49E−03 19.843 26.455 33.067 39.678 46.290 49.595
1.96E−01 171.444 228.567 285.690 342.813 399.937 428.498
2.02E−01 173.127 230.810 288.494 346.178 403.862 432.704
9.06E−03 62.789 83.710 104.630 125.551 146.471 156.932
1.44E−01 48.229 64.298 80.367 96.437 112.506 120.541
1.44E−02 73.08 97.42 121.77 146.12 170.47 182.64 6.90E−02 72.00 95.99 119.98 143.97 167.96 179.96 1.54E−04
5.527
7.368
9.209 11.051 12.892 13.813
3
1
19
3
205
203
31
7
119
117
87
115
11
125
141
71
65
129
81
63
23
51
123
27
13
79
151
55
93
209
45
159
69
231
121
59
187
185
99
113
115
H
H
F
He
Tl
Tl
P
Li
Sn
Sn
Rb
Sn
B
Te
Pr
Ga
Cu
Xe
Br
Cu
Na
V
Te
Al
C
Br
Eu
Mn
Nb
Po
Sc
Tb
Ga
Pa
Sb
Co
Re
Re
Tc
Cd
In
Isotope
(%)
99.9885
100.0
1.34E–04
70.48
29.52
100.0
92.41
8.59
7.68
27.83
0.34
80.1
7.07
100.0
39.892
30.85
26.4006
49.31
69.15
100.0
99.750
0.89
100.0
1.07
50.69
47.81
100.0
100.0
100.0
100.0
60.108
100.0
57.21
100.0
62.60
37.40
12.22
95.71
1/2
1/2
1/2
1/2
1/2
1/2
1/2
3/2
1/2
1/2
3/2
1/2
3/2
1/2
5/2
3/2
3/2
1/2
3/2
3/2
3/2
7/2
1/2
5/2
1/2
3/2
5/2
5/2
9/2
1/2
7/2
3/2
3/2
3/2
5/2
7/2
5/2
5/2
9/2
1/2
9/2
Nat.
Abund.
Spin
–
5.87E+03
4.89E+03
3.48E–03
8.36E+02
3.40E+02
3.91E+02
1.59E+03
2.66E+01
2.08E+01
2.90E+02
7.11E–01
7.77E+02
1.34E+01
1.97E+03
3.35E+02
2.08E+02
3.35E+01
2.88E+02
3.82E+02
5.45E+02
2.25E+03
9.61E–01
1.22E+03
1.00E+00
2.37E+02
5.04E+02
1.05E+03
2.87E+03
–
1.78E+03
4.08E+02
2.46E+02
4.06E+02
5.48E+02
1.64E+03
5.26E+02
3.05E+02
–
7.94E+00
1.99E+03
Natural
rel.13C
Molar
rel.1H
1.21E+00
1.00E+00
8.32E–01
4.42E–01
2.02E–01
1.96E–01
6.65E–02
2.94E–01
5.27E–02
4.60E–02
1.77E–01
3.56E–02
1.65E–01
3.22E–02
3.35E–01
1.43E–01
1.15E–01
2.16E–02
9.95E–02
9.39E–02
9.27E–02
3.84E–01
1.84E–02
2.07E–01
1.59E–02
7.94E–02
1.79E–01
1.79E–01
4.88E–01
1.44E–02
3.02E–01
6.94E–02
6.97E–02
6.90E–02
1.63E–01
2.78E–01
1.43E–01
1.39E–01
3.82E–01
1.11E–02
3.53E–01
Receptivity 320.131
300.130
282.404
228.636
173.127
171.444
121.495
116.642
111.920
106.943
98.204
98.199
96.294
94.690
91.89 91.530
85.248
83.467
81.055
79.581
79.390
78.943
78.543
78.204
75.468
75.195
74.62 74.400
73.460
73.08 72.907
72.14 72.035
72.00 71.823
71.212
68.284
67.603
67.554
66.608
65.766
426.795
400.130
376.498
304.815
230.810
228.567
161.976
155.506
149.211
142.575
130.924
130.918
128.378
126.240
122.51 122.026
113.652
111.277
108.061
106.096
105.842
105.246
104.713
104.261
100.613
100.248
99.48 99.189
97.936
97.42 97.199
96.18 96.037
95.99 95.753
94.939
91.036
90.128
90.063
88.802
87.679
533.459
500.130
470.592
380.994
288.494
285.690
202.457
194.370
186.502
178.208
163.645
163.636
160.462
157.790
153.12 152.523
142.055
139.087
135.068
132.612
132.294
131.549
130.883
130.318
125.758
125.302
124.34 123.978
122.413
121.77 121.490
120.22 120.038
119.98 119.684
118.666
113.788
112.652
112.571
110.995
109.592
640.123
600.130
564.686
457.173
346.178
342.813
242.938
233.233
223.792
213.840
196.365
196.355
192.546
189.340
183.74 183.020
170.459
166.897
162.074
159.127
158.746
157.852
157.052
156.375
150.903
150.356
149.20 148.768
146.889
146.12 145.782
144.26 144.039
143.97 143.615
142.393
136.539
135.177
135.079
133.188
131.504
746.786
700.130
658.780
533.352
403.862
399.937
283.419
272.097
261.083
249.472
229.086
229.074
224.630
220.889
214.36 213.517
198.863
194.707
189.081
185.643
185.198
184.155
183.222
182.432
176.048
175.410
174.06 173.557
171.365
170.47 170.074
168.29 168.041
167.96 167.545
166.120
159.291
157.701
157.588
155.381
153.417
800.118
750.130
705.827
571.441
432.704
428.498
303.659
291.529
279.728
267.288
245.446
245.433
240.672
236.664
229.67 228.765
213.065
208.613
202.584
198.901
198.424
197.306
196.307
195.460
188.620
187.937
186.49 185.951
183.603
182.64 182.220
180.31 180.041
179.96 179.510
177.984
170.667
168.964
168.842
166.478
164.373
853.450
800.130
752.874
609.531
461.546
457.060
323.900
310.961
298.374
285.104
261.806
261.793
256.714
252.439
244.97 244.013
227.266
222.518
216.087
212.158
211.650
210.458
209.392
208.489
201.193
200.464
198.92 198.346
195.841
194.81 194.366
192.33 192.042
191.95 191.476
189.847
182.042
180.226
180.096
177.574
175.330
906.782
850.130
799.921
647.620
490.388
485.621
344.140
330.393
317.019
302.921
278.166
278.152
272.755
268.214
260.28 259.262
241.468
236.423
229.591
225.416
224.876
223.609
222.477
221.517
213.765
212.991
211.35 210.741
208.079
206.99 206.511
204.35 204.043
203.94 203.441
201.711
193.418
191.488
191.350
188.671
186.286
960.114
900.130
846.968
685.710
519.230
514.183
364.380
349.825
335.664
320.737
294.527
294.511
288.797
283.989
275.59 274.510
255.670
250.328
243.094
238.674
238.101
236.761
235.562
234.546
226.338
225.518
223.78 223.135
220.317
219.16 218.657
216.37 216.043
215.94 215.406
213.575
204.794
202.751
202.604
199.767
197.242
1013.446
950.130
894.015
723.799
548.071
542.745
384.621
369.257
354.309
338.553
310.887
310.871
304.839
299.764
290.90 289.758
269.872
264.233
256.597
251.931
251.327
249.912
248.647
247.574
238.910
238.045
236.22 235.530
232.555
231.34 230.803
228.39 228.044
227.93 227.372
225.438
216.170
214.013
213.858
210.864
208.198
1066.778
1000.130
941.062
761.889
576.913
571.306
404.861
388.688
372.955
356.369
327.247
327.230
320.881
315.539
306.21
305.007
284.074
278.138
270.100
265.189
264.553
263.064
261.731
260.602
251.483
250.572
248.65
247.924
244.794
243.51
242.949
240.41
240.045
239.93
239.337
237.302
227.546
225.275
225.113
221.961
219.155
7.04925 9.39798 11.7467 14.0954 16.4442 17.6185 18.7929 19.9673 21.1416 22.3160 23.4904
NMRFrequencyTables
NMRFrequenciesvs.BrukerFieldStrengths–sortedwithdecreasingLarmorfrequency
5
6
113
195
111
165
207
127
29
77
199
171
75
209
2
6
139
9
17
138
133
123
181
175
137
153
10
15
50
135
35
85
91
61
169
131
37
176
21
189
33
14
43
In
Pt
Cd
Ho
Pb
I
Si
Se
Hg
Yb
As
Bi
H
Li
La
Be
O
La
Cs
Sb
Ta
Lu
Ba
Eu
B
N
V
Ba
Cl
Rb
Zr
Ni
Tm
Xe
Cl
Lu
Ne
Os
S
N
Ca
Isotope
9/2
1/2
1/2
7/2
1/2
5/2
1/2
1/2
1/2
1/2
3/2
9/2
1
1
7/2
3/2
5/2
5
7/2
7/2
7/2
7/2
3/2
5/2
3
1/2
6
3/2
3/2
5/2
5/2
3/2
1/2
3/2
3/2
7
3/2
3/2
3/2
1
7/2
Spin
4.29
33.832
12.80
100.0
22.1
100.0
4.685
7.63
16.87
14.28
100.0
100.0
0.0115
7.59
99.910
100.0
0.038
0.090
100.0
42.79
99.988
97.41
11.232
52.19
19.9
0.364
0.250
6.592
75.76
72.17
11.22
1.1399
100.0
21.2324
24.24
2.59
0.27
16.15
0.75
99.636
0.135
(%)
Nat.
Abund.
2.07E+01
7.27E+00
1.16E+03
1.18E+01
5.60E+02
2.16E+00
3.15E+00
5.89E+00
4.63E+00
1.49E+02
8.48E+02
6.52E–03
3.79E+00
3.56E+02
8.15E+01
6.50E–02
4.97E–01
2.84E+02
1.17E+02
2.20E+02
1.79E+02
4.62E+00
4.73E+01
2.32E+01
2.23E–02
8.18E–01
1.94E+00
2.10E+01
4.50E+01
6.26E+00
2.40E–01
3.32E+00
3.51E+00
3.88E+00
6.05E+00
3.91E–02
2.32E+00
1.00E–01
5.90E+00
5.10E–02
174.954
172.002
169.751
169.11 167.392
160.086
158.963
152.597
143.310
140.017
137.003
128.575
122.825
117.748
113.023
112.433
108.469
105.572
104.946
103.691
95.932
91.36 88.918
87.80 85.963
81.107
79.775
79.489
78.396
77.252
74.382
71.500
66.18 65.962
65.256
64.85 63.165
62.133
61.418
57.820
53.849
185.887
182.751
180.359
179.68 177.852
170.090
168.897
162.133
152.265
148.767
145.564
136.610
130.500
125.106
120.086
119.459
115.248
112.169
111.504
110.170
101.927
97.07 94.474
93.29 91.335
86.176
84.761
84.456
83.295
82.080
79.031
75.968
70.32 70.084
69.334
68.90 67.112
66.016
65.256
61.433
57.214
196.820
193.499
190.967
190.25 188.313
180.093
178.831
171.668
161.221
157.517
154.126
144.644
138.175
132.464
127.149
126.485
122.026
118.766
118.062
116.650
107.922
102.78 100.031
98.78 96.707
91.244
89.746
89.423
88.194
86.907
83.679
80.436
74.45 74.206
73.412
72.95 71.059
69.899
69.094
65.046
60.579
207.753
204.247
201.575
200.82 198.773
190.097
188.764
181.204
170.176
166.266
162.687
152.679
145.851
139.822
134.212
133.510
128.804
125.363
124.620
123.129
113.917
108.49 105.587
104.26 102.079
96.312
94.731
94.390
93.093
91.735
88.327
84.904
78.59 78.328
77.490
77.01 75.006
73.781
72.932
68.659
63.944
218.686
214.996
212.182
211.38
209.233
200.101
198.698
190.740
179.132
175.016
171.248
160.714
153.526
147.180
141.275
140.536
135.582
131.960
131.178
129.609
119.912
114.20
111.144
109.75
107.451
101.381
99.716
99.357
97.992
96.562
92.975
89.372
82.72
82.450
81.568
81.06
78.953
77.664
76.770
72.273
67.309
18.7929 19.9673 21.1416 22.3160 23.4904
Molar
7.04925 9.39798 11.7467 14.0954 16.4442 17.6185
rel.1H
3.51E–01 65.626 87.491 109.357 131.223 153.089 164.022
1.04E–02 64.518 86.015 107.512 129.009 150.505 161.254
9.66E–03 63.674 84.890 106.105 127.320 148.536 159.144
1.98E–01 63.43 84.57 105.71 126.84 147.98 158.54 9.06E–03 62.789 83.710 104.630 125.551 146.471 156.932
9.54E–02 60.048 80.056 100.063 120.071 140.078 150.082
7.86E–03 59.627 79.495 99.362 119.229 139.096 149.030
7.03E–03 57.239 76.311 95.382 114.454 133.525 143.061
5.94E–03 53.756 71.667 89.577 107.488 125.399 134.354
5.52E–03 52.521 70.020 87.519 105.019 122.518 131.268
2.54E–02 51.390 68.513 85.635 102.758 119.881 128.442
1.44E–01 48.229 64.298 80.367 96.437 112.506 120.541
9.65E–03 46.072 61.422 76.773 92.124 107.474 115.150
8.50E–03 44.167 58.883 73.600 88.316 103.032 110.390
6.06E–02 42.395 56.521 70.647 84.772 98.898 105.961
1.39E–02 42.174 56.226 70.277 84.329 98.381 105.407
2.91E–02 40.687 54.243 67.800 81.356 94.913 101.691
9.40E–02 39.600 52.794 65.989 79.183 92.377 98.974
4.84E–02 39.365 52.482 65.598 78.714 91.830 98.388
4.66E–02 38.894 51.854 64.813 77.772 90.731 97.211
3.74E–02 35.984 47.974 59.964 71.953 83.943 89.938
3.13E–02 34.27 45.69 57.11 68.53 79.94 85.65 7.00E–03 33.353 44.466 55.579 66.692 77.805 83.361
1.54E–02 32.94 43.91 54.88 65.86 76.83 82.32 1.99E–02 32.245 42.989 53.732 64.476 75.220 80.591
1.04E–03 30.423 40.560 50.697 60.834 70.971 76.039
5.57E–02 29.924 39.894 49.865 59.835 69.805 74.790
5.01E–03 29.816 39.751 49.685 59.620 69.554 74.521
4.72E–03 29.406 39.204 49.002 58.800 68.598 73.497
1.06E–02 28.977 38.632 48.287 57.942 67.597 72.425
9.49E–03 27.901 37.197 46.494 55.790 65.086 69.734
3.59E–03 26.820 35.756 44.692 53.628 62.564 67.032
5.66E–04 24.82 33.10 41.37 49.64 57.91 62.04 2.82E–03 24.742 32.986 41.230 49.474 57.718 61.840
2.72E–03 24.478 32.634 40.789 48.945 57.101 61.179
3.98E–02 24.33 32.43 40.53 48.64 56.74 60.80 2.46E–03 23.693 31.587 39.482 47.376 55.270 59.217
2.44E–03 23.306 31.072 38.837 46.602 54.368 58.251
2.27E–03 23.038 30.714 38.390 46.066 53.742 57.580
1.01E–03 21.688 28.915 36.141 43.367 50.594 54.207
6.43E–03 20.199 26.929 33.659 40.389 47.119 50.484
97
201
95
67
25
53
49
47
143
101
89
173
163
39
109
99
105
87
147
183
177
107
157
83
73
161
149
145
57
103
155
167
41
179
187
193
235
191
197
Mo
Hg
Mo
Zn
Mg
Cr
Ti
Ti
Nd
Ru
Y
Yb
Dy
K
Ag
Ru
Pd
Sr
Sm
W
Hf
Ag
Gd
Kr
Ge
Dy
Sm
Nd
Fe
Rh
Gd
Er
K
Hf
Os
Ir
U
Ir
Au
Isotope
5/2
3/2
5/2
5/2
5/2
3/2
7/2
5/2
7/2
5/2
1/2
5/2
5/2
3/2
1/2
5/2
5/2
9/2
7/2
1/2
7/2
1/2
3/2
9/2
9/2
5/2
7/2
7/2
1/2
1/2
3/2
7/2
3/2
9/2
1/2
3/2
7/2
3/2
3/2
Spin
9.56
13.18
15.90
4.102
10.00
9.501
5.41
7.44
12.2
17.06
100.0
16.13
24.896
93.258
48.161
12.76
22.33
7.00
14.99
14.31
18.60
51.839
15.65
11.500
7.76
18.889
13.82
8.3
2.119
100.0
14.80
22.869
6.730
13.62
1.96
62.7
0.7204
37.3
100.0
(%)
Nat.
Abund.
1.16E+00
3.06E+00
6.92E–01
1.58E+00
5.07E–01
1.20E+00
9.18E–01
2.43E+00
1.58E+00
7.00E–01
1.28E+00
1.91E+00
2.79E+00
2.90E–01
8.46E–01
1.49E+00
1.12E+00
1.34E+00
6.31E–02
1.53E+00
2.05E–01
3.00E–01
1.28E+00
6.44E–01
5.26E–01
6.92E–01
3.87E–01
4.25E–03
1.86E–01
1.26E–01
6.77E–01
3.34E–02
4.38E–01
1.43E–03
1.37E–01
6.53E–03
6.38E–02
1.62E–01
Molar
7.04925 9.39798 11.7467 14.0954 16.4442 17.6185 18.7929 19.9673 21.1416 22.3160 23.4904
rel.1H
3.49E–03 19.970 26.623 33.277 39.931 46.585 49.911 53.238 56.565 59.892 63.219 66.546
1.49E–03 19.843 26.455 33.067 39.678 46.290 49.595 52.901 56.207 59.513 62.819 66.124
3.27E–03 19.559 26.076 32.593 39.110 45.627 48.885 52.144 55.402 58.661 61.919 65.178
2.87E–03 18.779 25.035 31.292 37.549 43.806 46.934 50.063 53.191 56.319 59.448 62.576
2.68E–03 18.373 24.494 30.616 36.738 42.859 45.920 48.981 52.042 55.103 58.163 61.224
9.08E–04 16.965 22.617 28.270 33.922 39.575 42.401 45.227 48.054 50.880 53.706 56.532
3.78E–03 16.924 22.563 28.203 33.842 39.481 42.300 45.120 47.939 50.759 53.578 56.398
2.10E–03 16.920 22.557 28.195 33.833 39.470 42.289 45.108 47.926 50.745 53.564 56.383
3.39E–03 16.35 21.80 27.25 32.69 38.14 40.86 43.59 46.31 49.04 51.76 54.48
1.57E–03 15.491 20.652 25.814 30.975 36.136 38.717 41.298 43.878 46.459 49.040 51.620
1.19E–04 14.707 19.607 24.507 29.408 34.308 36.758 39.208 41.658 44.108 46.558 49.008
1.35E–03 14.61 19.48 24.35 29.22 34.09 36.52 38.96 41.39 43.83 46.26 48.69
1.31E–03 14.46 19.28 24.10 28.92 33.74 36.15 38.56 40.97 43.38 45.79 48.20
5.10E–04 14.005 18.672 23.338 28.004 32.671 35.004 37.337 39.670 42.003 44.337 46.670
1.02E–04 13.967 18.620 23.274 27.927 32.581 34.908 37.234 39.561 41.888 44.215 46.541
1.13E–03 13.821 18.427 23.032 27.637 32.242 34.545 36.847 39.150 41.452 43.755 46.057
1.13E–03 13.734 18.310 22.886 27.463 32.039 34.327 36.615 38.903 41.191 43.479 45.767
2.72E–03 13.007 17.341 21.675 26.009 30.342 32.509 34.676 36.843 39.010 41.177 43.344
1.52E–03 12.51 16.68 20.84 25.01 29.18 31.26 33.35 35.43 37.52 39.60 41.68
7.50E–05 12.505 16.671 20.837 25.004 29.170 31.253 33.337 35.420 37.503 39.586 41.669
1.40E–03 12.18 16.24 20.30 24.36 28.42 30.45 32.48 34.51 36.53 38.56 40.59
6.74E–05 12.149 16.197 20.244 24.292 28.340 30.364 32.388 34.412 36.436 38.460 40.483
3.26E–04 12.08 16.11 20.13 24.16 28.19 30.20 32.21 34.22 36.24 38.25 40.26
1.90E–03 11.548 15.395 19.243 23.091 26.938 28.862 30.786 32.710 34.633 36.557 38.481
1.41E–03 10.469 13.958 17.446 20.934 24.423 26.167 27.911 29.655 31.399 33.144 34.888
4.74E–04 10.32 13.75 17.19 20.63 24.07 25.78 27.50 29.22 30.94 32.66 34.38
8.52E–04 10.31 13.75 17.18 20.62 24.06 25.77 27.49 29.21 30.93 32.64 34.36
7.93E–04 10.07 13.43 16.78 20.14 23.49 25.17 26.85 28.53 30.20 31.88 33.56
3.42E–05
9.718 12.955 16.193 19.431 22.669 24.288 25.906 27.525 29.144 30.763 32.382
3.17E–05
9.563 12.750 15.936 19.123 22.309 23.902 25.496 27.089 28.682 30.275 31.869
1.45E–04
9.21 12.28 15.35 18.42 21.49 23.03 24.56 26.10 27.63 29.17 30.70
5.04E–04
8.66 11.54 14.42 17.31 20.19 21.63 23.08 24.52 25.96 27.40 28.85
8.44E–05
7.687 10.249 12.810 15.371 17.932 19.213 20.494 21.774 23.055 24.336 25.616
5.47E–04
7.65 10.20 12.75 15.30 17.85 19.13 20.40 21.68 22.95 24.23 25.50
1.24E–05
6.850
9.132 11.415 13.697 15.979 17.120 18.262 19.403 20.544 21.685 22.826
3.73E–05
5.86 7.82 9.77 11.73 13.68 14.66 15.63 16.61 17.59 18.56 19.54
1.54E–04
5.527
7.368
9.209 11.051 12.892 13.813 14.734 15.654 16.575 17.496 18.416
2.91E–05
5.40 7.20 9.00 10.79 12.59 13.49 14.39 15.29 16.19 17.09 17.99
2.76E–05
5.31 7.08 8.84 10.61 12.38 13.26 14.15 15.03 15.92 16.80 17.69
7
NMRPropertiesofSelectedIsotopes
Z=protonnumber,A=massnumber,Half-Lifewhereappropriateinyears(y),days(d),
hours(h),minutes(m);I=spinquantumnumber;NA=naturalabundance(IUPAC2003);
µz=z-componentofnuclearmagneticmomentinunitsofthenuclearmagneton(µN);
Q=electricquadrupolemomentinunitsoffm2=10–30m2(1fm2=0.01barns);
calc.magnetogyricratioγ=µz/h-l.Note:forµzandQtheexperimentaluncertaintybegins
withthelastsignificantdigit.
Z
0
1
2
3
4
5
6
7
14 N
15 N
8
9
10
11
12
13
13
14
15
17
19
21
23
25
26
27
29
31
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
33
35
37
39
39
40
41
41
43
45
47
49
50
51
53
53
55
57
59
59
60
61
63
65
67
69
71
73
75
77
8
A
1
1
2
3
3
6
7
9
10
11
13
Sym
n
H
H(D)
H(T)
He
Li
Li
Be
B
B
C
Isotope
(half-life)
Name
Neutron
Hydrogen
Deuterium
Tritium(12.32y)
Helium
Lithium
Lithium
Beryllium
Boron
Boron
Carbon
Spin
I
1/2
1/2
1
1/2
1/2
1
3/2
3/2
3
3/2
1/2
Nat.Abund.
2003
(TICE2001)
NA(%)
099.9885000
00.011500
00.000134
07.590000
092.4100000
1000.000000
19.900000
80.100000
1.07000
Rel.Nucl.
Magn.Mom.
(measured)
µz/µN
-1.913042700
-2.792847340
-0.857438228
-2.978962440
-2.127497720
-0.822047300
-3.256462500
-1.177490000
-1.800644780
-2.688649000
-0.702412000
Quadrupole
Moment
Q[fm2]
-0.286 -0.0808 -4.01
-5.2888s
-8.4590s
-4.0590s
Magnetogyric
Ratio
(calc.,freeatom)
γ[107rads-1T-1]
-18.3247183000
-26.7522208000
-4.106629190
-28.5349865000
-20.3789473000
-3.937127000
-10.3977040000
-3.759660000
-2.874679550
0-8.5847070000
-6.728286000
Nitrogen
Nitrogen
1
1/2
99.636000
0.36400
-0.403761000
-0.283188840
-2.0440s
-1.933779800
-2.712618900
O
F
Ne
Na
Mg
Al
Al
Si
P
Oxygen
Fluorine
Neon
Sodium(Natrium)
Magnesium
Alumin(i)um(7.17E5y)
Alumin(i)um
Silicon
Phosphorus
5/2
1/2
3/2
3/2
5/2
5
5/2
1/2
1/2
0.03800
1000000000.
0.27000
1000000.000
10.000000
1000000000.
4.68500
1000000000.
-1.893790000
-2.626868000
-0.661797000
-2.217655600
-0.855450000
-2.804000000
-3.641506900
-0.555290000
-1.131600000
-2.55800
-10.15500s
-10.4000s0
-19.9400s0
-270000.s0
-14.6600s0
-3.628060000
-25.1623300000
-2.113081000
-7.080851600
-1.638840000
-2.686000000
-6.976278000
-5.319030000
-10.8394000000
S
Cl
Cl
Ar
K
K
K
Ca
Ca
Sc
Ti
Ti
V
V
Cr
Mn
Mn
Fe
Fe
Co
Co
Ni
Cu
Cu
Zn
Ga
Ga
Ge
As
Se
Sulfur
Chlorine
Chlorine
Argon(269y)
Potassium(Kalium)
Potassium(1.248E9y)
Potassium
Calcium(1.02E5y)
Calcium
Scandium
Titanium
Titanium
Vanadium(1.4E17y)
Vanadium
Chromium
Manganese(3.74E6y)
Manganese
Iron,Ferrum
Iron(44.507d)
Cobalt
Cobalt(1925.2d)
Nickel
Copper,Cuprum
Copper,Cuprum
Zinc
Gallium
Gallium
Germanium
Arsenic
Selenium
3/2
3/2
3/2
7/2
3/2
4
3/2
7/2
7/2
7/2
5/2
7/2
6
7/2
3/2
7/2
5/2
1/2
3/2
7/2
5
3/2
3/2
3/2
5/2
3/2
3/2
9/2
3/2
1/2
0.75000
75.760000
24.240000
93.258000
0.01170
6.73000
0.13500
100000000.0
7.44000
5.41000
0.25000
99.750000
9.50100
10000000.00
2.11900
10000000.00
1.13990
69.150000
30.850000
4.10200
60.108000
39.892000
7.76000
100000000.0
7.63000
-0.643821000
-0.821874300
-0.684123600
-1.590000000
-0.391507300
-1.298100000
-0.214892740
-1.594781000
-1.317643000
-4.756487000
-0.788480000
-1.104170000
-3.345689000
-5.148705700
-0.474540000
-5.024000000
-3.468717900
-0.090623000
-0.335800000
-4.627000000
-3.799000000
-0.750020000
-2.227346000
-2.381600000
-0.875204900
-2.016590000
-2.562270000
-0.879467700
-1.439470000
-0.535074300
-6.7800s
-8.1650s
-6.4350s
-5.8500s
-7.3000s
-7.1100s
-6.700s0
-4.0800s
-22.000s00
-30.2000s0
-24.7000s0
-210000.s0
-5.2000s
-15 0000.0
-33 00000
-42s0000.0
-440000.s0
-16.20000.0
-22.0000s0
-20.40000s
-15.0000s0
-17.1000s0
-10.7000s0
-19.60000s
-31.4000s0
-2.055685000
-2.624199100
-2.184368800
-2.170000000
-1.250061200
-1.554286000
0-0.6861406200
-2.182306000
-1.803069000
-6.508800000
-1.510540000
-1.510950000
-2.670650000
-7.045513900
-1.515180000
0-6.8750000000
-6.645254530
0-0.8680627000
-1.072200000
-6.332000000
-3.639000000
-2.394770000
-7.111791000
-7.604300000
-1.676688500
-6.438860000
-8.181170000
-0.936030600
-4.596150000
-5.125388000
Theor.NMRfreq.νocalc.fromγ andscaledto1H=100.0MHz;MolarReceptivityRM(H)
relativetoequalnumberofprotonsisproportionaltoγ3I(I+1);Receptivityatnat.
abundanceRNA(C)relativeto13C;recommendedReferencesample(IUPAC2001);
experimentalreson.freq.ofref.sampleontheunifiedΞ scale
(atB0whereTMS(1H)=100.0MHz).
NumberscontainingEareinexponentialformat.
A
1
1
2
3
3
6
7
9
10
11
13
14
15
17
19
21
23
25
26
27
29
31
33
35
37
39
39
40
41
41
43
45
47
49
50
51
53
53
55
57
59
59
60
61
63
65
67
69
71
73
75
77
Sym
n
H
D
T
He
Li
Li
Be
B
B
C
N
N
O
F
Ne
Na
Mg
Al
Al
Si
P
S
Cl
Cl
Ar
K
K
K
Ca
Ca
Sc
Ti
Ti
V
V
Cr
Mn
Mn
Fe
Fe
Co
Co
Ni
Cu
Cu
Zn
Ga
Ga
Ge
As
Se
Theoretical
NMRFreq.
(freeatom)
νo[MHz]
068.4979
100.0000
015.3506
106.6640
076.1767
014.7170
038.8667
014.0536
010.7456
032.0897
025.1504
007.2285
010.1398
013.5617
094.0570
007.8987
026.4683
006.1260
010.0399
026.0774
019.8826
040.5178
007.6842
009.8093
008.1652
008.1228
004.6727
005.8099
002.5648
008.1575
006.7399
024.3299
005.6464
005.6479
009.9829
026.3362
005.6638
025.6983
024.8400
003.2448
004.0079
023.6676
013.6026
008.9517
026.5839
028.4250
006.2675
024.0685
030.5813
003.4989
017.1804
019.1587
Molar
Receptivity
Receptivity atNat.Abund.
(rel.13C)
(rel.1H)
RM(H)
RNA(C)
3.21E–01
1.00E+00
5.87E+03
9.65E–03
6.52E–03
1.21E+00
4.42E–01
3.48E–03
8.50E–03
3.79E+00
2.94E–01
1.59E+03
1.39E–02
8.15E+01
1.99E–02
2.32E+01
1.65E–01
7.77E+02
1.59E–02
1.00E+00
1.01E–03
5.90E+00
1.04E–03
2.23E–02
2.91E–02
6.50E–02
8.32E–01
4.89E+03
2.46E–03
3.91E–02
9.27E–02
5.45E+02
2.68E–03
1.58E+00
4.05E–02
2.07E–01
1.22E+03
7.86E–03
2.16E+00
6.65E–02
3.91E+02
2.27E–03
1.00E–01
4.72E–03
2.10E+01
2.72E–03
3.88E+00
1.13E–02
5.10E–04
2.79E+00
5.23E–03
3.59E–03
8.44E–05
3.34E–02
1.14E–02
6.43E–03
5.10E–02
3.02E–01
1.78E+03
2.10E–03
9.18E–01
3.78E–03
1.20E+00
5.57E–02
8.18E–01
3.84E–01
2.25E+03
9.08E–04
5.07E–01
3.56E–01
1.79E–01
1.05E+03
3.42E–05
4.25E–03
3.22E–04
2.78E–01
1.64E+03
1.01E–01
3.59E–03
2.40E–01
9.39E–02
3.82E+02
1.15E–01
2.08E+02
2.87E–03
6.92E–01
6.97E–02
2.46E+02
1.43E–01
3.35E+02
1.41E–03
6.44E–01
2.54E–02
1.49E+02
7.03E–03
3.15E+00
ReferenceSample
Reference
1%Me4SiinCDCl3
(CD3)4Sineat
TMS-T1
Hegas
9.7mLiClinD2O
9.7mLiClinD2O
0.43mBeSO4inD2O
15%BF3.Et2OinCDCl3
15%BF3.Et2OinCDCl3
1%Me4SiinCDCl3
DSSinD2O
MeNO2+10%CDCl3
MeNO2+10%CDCl3
liquidNH3
D2O
CCl3F
Neongas,1.1MPa
0.1MNaClinD2O
11MMgCl2inD2O
1.1mAl(NO3)3inD2O
1%Me4SiinCDCl3
H3PO4external
(MeO)3POinternal
(NH4)2SO4inD2O(sat.)
0.1MNaClinD2O
0.1MNaClinD2O
0.1MKClinD2O
0.1MKClinD2O
0.1MKClinD2O
0.1MCaCl2inD2O
0.06MSc(NO3)3inD2O
TiCl4neat+10%C6D12
TiCl4neat+10%C6D12
VOCl3+5%C6D6
VOCl3+5%C6D6
K2CrO4inD2O(sat.)
0.82mKMnO4inD2O
Fe(CO)5+20%C6D6
0.56mK3[Co(CN)6]inD2O
Ni(CO)4+5%C6D6
[Cu(CH3CN)4[ClO4]inCH3CN(sat.)+5%C6D6
[Cu(CH3CN)4[ClO4]inCH3CN(sat.)+5%C6D6
Zn(NO3)3inD2O(sat.)
1.1mGa(NO3)3inD2O
1.1mGa(NO3)3inD2O
Me4Ge+5%C6D6
0.5MNaAsF6inCD3CN
Me2Se+5%C6D6
Measured.
NMRFreq.
(rel.1Href.)
Ξ [MHz]
100.000000
15.350609
106.663974
076.178976
014.716086
038.863797
014.051813
010.743658
032.083974
025.145020
025.144953
007.226317
010.136767
010.132767
013.556457
094.094011
007.894296
026.451900
006.121635
026.056859
019.867187
040.480742
040.480864
007.676000
009.797909
008.155725
004.666373
005.802018
002.561305
006.730029
024.291747
005.637534
005.639037
009.970309
026.302948
005.652496
024.789218
003.237778
023.727074
008.936051
026.515473
028.403693
006.256803
024.001354
030.496704
003.488315
017.122614
019.071513
9
Z
A
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
79
79
81
83
85
87
87
89
91
93
95
97
99
99
99
101
103
105
107
109
111
113
113
115
115
117
119
121
123
125
123
125
127
129
129
131
133
135
137
137
138
139
139
141
141
143
145
145
147
149
151
153
155
157
159
161
163
163
165
166
167
169
169
171
171
173
175
10
Sym
Name
Se
Br
Br
Kr
Rb
Rb
Sr
Y
Zr
Nb
Mo
Mo
Mo
Tc
Ru
Ru
Rh
Pd
Ag
Ag
Cd
Cd
In
In
Sn
Sn
Sn
Sb
Sb
Sb
Te
Te
I
I
Xe
Xe
Cs
Ba
Ba
La
La
La
Ce
Ce
Pr
Nd
Nd
Pm
Sm
Sm
Eu
Eu
Gd
Gd
Tb
Dy
Dy
Ho
Ho
Ho
Er
Er
Tm
Tm
Yb
Yb
Lu
Selenium(2.95E5y)
Bromine
Bromine
Krypton
Rubidium
Rubidium(4.81E10y)
Strontium
Yttrium
Zirconium
Niobium
Molybdenum
Molybdenum
Molybdenum(65.924h)
Technetium(2.1E5y)
Ruthenium
Ruthenium
Rhodium
Palladium
Silver,Argentum
Silver
Cadmium
Cadmium(7.7E15y)
Indium
Indium(4.41E14y)
Tin
Tin
Tin(Stannum)
Antimony(Stibium)
Antimony
Antimony(2.7586y)
Tellurium(9.2E16y)
Tellurium
Iodine
Iodine(1.57E7y)
Xenon
Xenon
C(a)esium
Barium
Barium
Lanthanum(6E4y)
Lanthanum(1.05E11y)
Lanthanum
Cerium(137.64d)
Cerium(32.508d)
Praeseodymium
Neodymium
Neodymium
Promethium(17.7y)
Samarium(1.06E11y)
Samarium
Europium
Europium
Gadolinium
Gadolinium
Terbium
Dysprosium
Dysprosium
Holmium(4570y)
Holmium
Holmium(1200y)
Erbium
Erbium(9.40d)
Thulium
Thulium(1.92y)
Ytterbium
Ytterbium
Lutetium
I
NA(%)
µz/µN
7/2
-1.018000000
3/2 50.690000- 2.106400000
3/2 49.310000- 2.270562000
9/2
011.500
-0.9706690
5/2
72.17
-1.3533515
3/2
27.83
-2.7518180
9/2
07.00
-1.0936030
1/2
100.000
-0.1374154
5/2
11.22
-1.3036200
9/2
100000.
-6.1705000
5/2
15.90
-0.9142000
5/2
09.56
-0.9335000
1/2
-0.3750000
9/2
-5.6847000
5/2
12.76
-0.6410000
5/2
17.06
-0.7160000
1/2
100000.
-0.0884000
5/2
22.33
-0.6420000
1/2
051.839
-0.1136797
1/2
048.161
-0.1306900
1/2
12.80
-0.5948861
1/2
12.22
-0.6223009
9/2
04.29
-5.5289000
9/2
95.71
-5.5408000
1/2
00.34
-0.9188300
1/2
07.68
-1.0010400
1/2
08.59
-1.0472800
5/2
57.21
-3.3634000
7/2
42.79
-2.5498000
7/2
-2.6300000
1/2
00.89
-0.7369478
1/2
07.07
-0.8885051
5/2
100
-2.8132700
7/2
-2.6210000
1/2
0026.4006
-0.7779760
3/2
0021.2324
-0.6918620
7/2
100000.
-2.5820250
3/2
006.592
-0.8386270
3/2
011.232
-0.9373400
7/2
-2.6950000
5
000.090
-3.7136460
7/2
099.910
-2.7830455
3/2
-1.0600000
7/2
-1.0900000
5/2
100000.
-4.2754000
7/2
12.20
-1.0650000
7/2
8.3
-0.6560000
5/2
-3.8000000
7/2
14.99
-0.8148000
7/2
13.82
-0.6717000
5/2
47.81
-3.4717000
5/2
52.19
-1.5324000
3/2
14.80
-0.2572000
3/2
15.65
-0.3373000
3/2
100000.
-2.0140000
5/2
018.889
-0.4800000
5/2
024.896
-0.6730000
7/2
-4.2300000
7/2
100000.
-4.1320000
7
-3.6000000
7/2
022.869
-0.5639000
1/2
-0.4850000
1/2
100000.
-0.2310000
1/2
-0.2280000
1/2
14.28
-0.4936700
5/2
16.13
-0.6798900
7/2
97.41
-2.2320000
Q[fm2]
γ[107rads-1T-1]
-800000.s0
-30.5000s0
-25.4000s0
-25.9s000.
-27.6000.s
-13.3500.s
-33.5000.s
-17.6000.s
-32.s000.0
-2.200.s
-25.5000.s
-12.9000.s
-7.900.s
-45.7000.s
-66.0000.s
-79.9s000.
-81 000.
-36 0000.
-49 0000.
-710.000.s
-48s.0000.
-11.4s000.
-0.343.s
-16.0 .00
-24.5 000.
-26 0.000.
-45
00.
-20
000.
-5.89s0.
-63 00.00.
-33 0000.
-210.000.s
-25.9000.s
-7.500.s
-90.3 000.
-241s0.0000.
-127 00000.
-135 0.000.
-143.2
-2510.0000.s
-265s.00000.
-360 00000.
-358
00.
-340s.00000.
-357 00000.
-280 0000.
-349
0000.
-1.393000
-6.725619
-7.249779
-1.033097
--2.5927059
-8.786403
-1.163938
-1.316279
-2.497430
-6.567400
-1.751400
-1.788400
-3.590000
-6.050300
-1.228000
-1.372000
-0.846770
-1.230000
-1.088918
-1.251900
-5.698315
-5.960917
-5.884500
-5.897200
-8.801300
-9.588800
-10.0317000
-6.443500
-3.489200
-3.600000
-7.059101
-8.510843
-5.389570
-3.586600
-7.452100
-2.209077
-3.533256
-2.677690
-2.992870
-3.688000
-3.557240
-3.808333
-3.380000
-1.490000
-8.190700
-1.457400
-0.898000
-7.300000
-1.115000
-0.919200
-6.651000
-2.935700
-0.821200
-1.077000
-6.431000
-0.920000
-1.289000
-5.790000
-5.654000
-2.460000
-0.771600
-4.646000
-2.210000
-2.180000
-4.728800
-1.302510
-3.054700
A Sym
79
79
81
83
85
87
87
89
91
93
95
97
99
99
99
101
103
105
107
109
111
113
113
115
115
117
119
121
123
125
123
125
127
129
129
131
133
135
137
137
138
139
139
141
141
143
145
145
147
149
151
153
155
157
159
161
163
163
165
166
167
169
169
171
171
173
175
Se
Br
Br
Kr
Rb
Rb
Sr
Y
Zr
Nb
Mo
Mo
Mo
Tc
Ru
Ru
Rh
Pd
Ag
Ag
Cd
Cd
In
In
Sn
Sn
Sn
Sb
Sb
Sb
Te
Te
I
I
Xe
Xe
Cs
Ba
Ba
La
La
La
Ce
Ce
Pr
Nd
Nd
Pm
Sm
Sm
Eu
Eu
Gd
Gd
Tb
Dy
Dy
Ho
Ho
Ho
Er
Er
Tm
Tm
Yb
Yb
Lu
νo[MHz]
05.2072
25.1404
27.0997
03.8617
09.6916
32.8436
04.3508
04.9203
09.3354
24.5488
06.5467
06.6849
13.4272
22.6161
04.5903
05.1274
03.1652
04.5975
04.0704
04.6795
21.3003
22.2820
21.9963
22.0436
32.8994
35.8430
37.4986
24.0858
13.0425
13.4527
26.3870
31.8136
20.1462
13.4067
27.8560
08.2575
13.2073
10.0092
11.1874
13.7852
13.2970
14.2356
12.6514
05.5755
30.6168
05.4476
03.3555
27.2124
04.1678
03.4358
24.8614
10.9737
03.0697
04.0258
24.0376
03.4374
04.8195
21.6369
21.1356
09.2072
02.8842
17.3658
08.2711
08.1637
17.6762
04.8688
11.4185
RM(H)
RNA(C)
Reference
2.97E–03
7.94E–02
9.95E–02
1.90E–03
1.06E–02
1.77E–01
2.72E–03
1.19E–04
9.49E–03
4.88E–01
3.27E–03
3.49E–03
2.42E–03
3.82E–01
1.13E–03
1.57E–03
3.17E–05
1.13E–03
6.74E–05
1.02E–04
9.66E–03
1.11E–02
3.51E–01
3.53E–01
3.56E–02
4.60E–02
5.27E–02
1.63E–01
4.66E–02
5.11E–02
1.84E–02
3.22E–02
9.54E–02
5.06E–02
2.16E–02
2.82E–03
4.84E–02
5.01E–03
7.00E–03
5.50E–02
9.40E–02
6.06E–02
1.01E–02
3.64E–03
3.35E–01
3.39E–03
7.93E–04
2.35E–01
1.52E–03
8.52E–04
1.79E–01
1.54E–02
1.45E–04
3.26E–04
6.94E–02
4.74E–04
1.31E–03
2.13E–01
1.98E–01
5.83E–02
5.04E–04
5.24E–03
5.66E–04
5.44E–04
5.52E–03
1.35E–03
3.13E–02
2.37E+02
2.88E+02
1.28E+00
4.50E+01
2.90E+02
1.12E+00
7.00E–01
6.26E+00
2.87E+03
3.06E+00
1.96E+00
8.46E–01
1.58E+00
1.86E–01
1.49E+00
2.05E–01
2.90E–01
7.27E+00
7.94E+00
8.85E+01
1.99E+03
7.11E–01
2.08E+01
2.66E+01
5.48E+02
1.17E+02
9.61E–01
1.34E+01
5.60E+02
3.35E+01
3.51E+00
2.84E+02
1.94E+00
4.62E+00
4.97E–01
3.56E+02
1.97E+03
2.43E+00
3.87E–01
1.34E+00
6.92E–01
5.04E+02
4.73E+01
1.26E–01
3.00E–01
4.08E+02
5.26E–01
1.91E+00
1.16E+03
6.77E–01
3.32E+00
4.63E+00
1.28E+00
1.79E+02
0.01MNaBrinD2O
0.01MNaBrinD2O
Krgas
0.01MRbClinD2O
0.01MRbClinD2O
0.5MSrCl2inD2O
Y(NO3)3inH2O/D2O
Zr(C5H5)2Cl2inCH2Cl2(sat.)+5%C6D6
K[NbCl6]inCH3CN/CD3CN(sat.)
2MNa2MoO4inD2O
2MNa2MoO4inD2O
NH4TcO4inH2O/D2O
0.3MK4[Ru(CN)6]inD2O
0.3MK4[Ru(CN)6]inD2O
Rh(acac)3inCDCl3(sat.)
K2PdCl6inD2O(sat.)
AgNO3inD2O(sat.)
AgNO3inD2O(sat.)
Me2Cdneatliq.
Me2Cdneatliq.
0.1MIn(NO3)3inD2O+0.5MDNO3
0.1MIn(NO3)3inD2O+0.5MDNO3
Me4Sn+5%C6D6
Me4Sn+5%C6D6
Me4Sn+5%C6D6
KSbCl6inCH3CN/CD3CN(sat.)
KSbCl6inCH3CN/CD3CN(sat.)
Me2Te+5%C6D6
Me2Te+5%C6D6
0.01MKIinD2O
XeOF4neatliq.
XeOF4neatliq.
0.1MCsNO3inD2O
0.5MBaCl2inD2O
0.5MBaCl2inD2O
LaCl3inD2O/H2O
0.01MLaCl3inD2O
(+6keVexcitedstate)
0.171MYb(η-C5Me5)2(THF)2inTHF
Ξ [MHz]
25.053980
27.006518
03.847600
09.654943
32.720454
04.333822
04.900198
09.296298
24.476170
06.516926
06.653695
22.508326
04.605151
05.161369
03.186447
04.576100
04.047819
04.653533
21.215480
22.193175
21.865755
21.912629
32.718749
35.632259
37.290632
23.930577
12.959217
26.169742
31.549769
20.007486
27.810186
08.243921
13.116142
09.934457
11.112928
13.194300
14.125641
17.499306
11
Z
A
72
73
74
75
76
77
78
79
80
81
82
83
84
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
176
177
179
179
180
181
183
185
187
187
189
191
193
195
197
199
201
203
205
205
207
209
209
211
212
225
227
229
231
233
235
238
237
239
241
241
243
243
245
247
247
249
251
252
253
253
257
Sym
Name
Lu
Hf
Hf
Ta
Ta
Ta
W
Re
Re
Os
Os
Ir
Ir
Pt
Au
Hg
Hg
Tl
Tl
Pb
Pb
Bi
Po
Rn
Fr
Ra
Ac
Th
Pa
U
U
U
Np
Pu
Pu
Am
Am
Cm
Cm
Cm
Bk
Bk
Cf
Es
Es
Fm
Fm
Lutetium(3.78E10y)
Hafnium
Hafnium
Tantalum(1.82y)
Tantalum(1.2E15y)
Tantalum
Tungsten(Wolfram)
Rhenium
Rhenium(4.35E10y)
Osmium
Osmium
Iridium
Iridium
Platinum
Gold,Aurum
Mercury,Hydrargyrum
Mercury
Thallium
Thallium
Lead(1.73E7y)
Lead(Plumbum)
Bismuth
Polonium(102y)
Radon(14.6h)
Francium(19.3m)
Radium(14.9d)
Actinium(21.77y)
Thorium(7.34E3y)
Protactinium(3.25E4y)
Uranium(1.592E5y)
Uranium(7.04E8y)
Uranium(4.468E9y)
Neptunium(2.14E6y)
Plutonium(2.410E4y)
Plutonium(14.4y)
Americium(432.7y)
Americium(7.37E3y)
Curium(29.1y)
Curium(8.48E3y)
Curium(1.56E7y)
Berkelium(1.4E2y)
Berkelium(320d)
Californium(9.0E2y)
Einsteinium(472d)
Einsteinium(20.47d)
Fermium(3.0d)
Fermium(100.5d)
I
NA(%)
µz/µN
Q[fm2]
γ[107rads-1T-1]
7
7/2
9/2
7/2
9
7/2
1/2
5/2
5/2
1/2
3/2
3/2
3/2
1/2
3/2
1/2
3/2
1/2
1/2
5/2
1/2
9/2
1/2
1/2
5
1/2
3/2
5/2
3/2
5/2
7/2
0
5/2
1/2
5/2
5/2
5/2
5/2
7/2
9/2
(3/2)
7/2
1/2
(5)
7/2
(1/2)
(9/2)
02.59
18.60
13.62
000.012
099.988
14.31
37.40
62.60
01.96
16.15
37.30
62.70
033.832
100000.
16.87
13.18
29.52
70.48
22.10
100000.
100000.
0000.7204
099.274
-3.16900000
-0.79350000
-0.64100000
-2.28900000
-4.82500000
-2.37050000
-0.11778476
-3.18710000
-3.21970000
-0.06465189
-0.65993300
-0.15070000
-0.16370000
-0.60952000
-0.14815800
-0.50588550
-0.56022600
-1.62225790
-1.63821460
-0.71170000
-0.58219000
-4.11030000
-0.68000000
-0.60100000
-4.62000000
-0.73400000
-1.10000000
-0.46000000
-2.01000000
-0.59000000
-0.38000000
-3.14000000
-0.20300000
-0.68000000
-1.58000000
-1.50000000
-0.41000000
-0.5000000v
-0.37000000
no data
-2.0000000v
no data
no data
-4.10000000
no data
no data
-4970.00
-3370.00.
-3790.00
3370.00
4950.00
317 0.
218 0.
207 0.
85.60
81.60
75.10
54.70
38.60
23 -51.6 -10 0
170000
430000
-172000.
366.3 493.6 1390000..
386.6 560000
314000
286000
0-2.168000
0-1.085800
0-0.682000
0-3.132000
0-2.568000
0-3.243800
00-1.1282407
0-6.105700
0-6.168200
0-00.6192897
0-2.107130
0-0.481200
0-0.522700
0-5.838500
0-0.473060
0-4.845793
0-1.788770
-15.539339
-15.692186
0-1.363500
0-5.576700
0-4.374700
0-6.510000
0-5.760000
0-4.430000
0-7.030000
0-3.500000
0-0.880000
0-6.420000
0-1.130000
0-0.520000
0-6.020000
-01.940000
0-1.300000
0-3.030000
0-2.870000
0-0.790000
0-0.680000
0-0.390000
670 0.
-05.610000
0-2.700000
ThisTable(updatedOct.2009)wasassembledandcalculatedbyW.E.Hullusinginformation
fromthefollowingsources:
DeLaeteretal.Pure Appl Chem75(2003)683-800.(isotopeabundances)
HarrisRK,etal.Pure Appl Chem73(2001)1795-1818and80(2008)59-84.(shiftreferences)
MillsI,etal.Quantities,Units and Symbols in Physical Chemistry(IUPACrecommendations
1993,corrections1995).BlackwellScientific(1993,1995).
PyykköP.Spectroscopicnuclearquadrupolemoments.Mol.Phys.99(2001)1617-1629.
12
A Sym
νo[MHz]
Ξ [MHz]
RM(H)
RNA(C)
Reference
08.1049
04.0588
02.5502
11.7085
09.5979
12.1254
04.2174
22.8233
23.0568
02.3149
07.8765
01.7986
01.9538
21.8243
01.7683
18.1136
06.6864
58.0862
58.6575
05.0966
20.8458
16.3525
24.3479
21.5193
16.5423
26.2814
13.1288
03.2941
23.9899
04.2251
01.9437
22.4860
07.2686
04.8696
11.3146
10.7417
02.9361
02.5576
01.4720
3.98E–02
1.40E–03
5.47E–04
3.37E–02
1.06E–01
3.74E–02
7.50E–05
1.39E–01
1.43E–01
1.24E–05
2.44E–03
2.91E–05
3.73E–05
1.04E–02
2.76E–05
5.94E–03
1.49E–03
1.96E–01
2.02E–01
1.54E–03
9.06E–03
1.44E–01
1.44E–02
9.97E–03
1.81E–01
1.82E–02
1.13E–02
4.17E–04
6.90E–02
8.80E–04
1.54E–04
1.33E–01
3.84E–04
1.35E–03
1.69E–02
1.45E–02
2.95E–04
3.51E–04
1.05E–04
6.05E+00
1.53E+00
4.38E–01
7.48E–02
2.20E+02
6.31E–02
3.05E+02
5.26E+02
1.43E–03
2.32E+00
6.38E–02
1.37E–01
2.07E+01
1.62E–01
5.89E+00
1.16E+00
3.40E+02
8.36E+02
1.18E+01
8.48E+02
4.06E+02
6.53E–03
(+77keVexcitedstate)
KTaCl6inCH3CN(sat.)
1MNa2WO4inD2O
0.1MKReO4inD2O
0.1MKReO4inD2O
0.98MOsO4inCCl4
0.98MOsO4inCCl4
1.2MNa2PtCl6inD2O
Me2Hgneatliq.(toxic!)
Me2Hgneatliq.(toxic!)
Tl(NO3)3
Tl(NO3)3
Me4Pb+5%C6D6
Bi(NO3)2sat.inconc.HNO3+50%D2O
UF6+10%C6D6
11.989600
04.166387
22.524600
22.751600
02.282331
07.765400
21.496784
17.910822
06.611583
57.123200
57.683838
20.920599
16.069288
01.841400
249 Bk
10.2302
2.25E–02
253 Es
20.9719
1.94E–01
176
177
179
179
180
181
183
185
187
187
189
191
193
195
197
199
201
203
205
205
207
209
209
211
212
225
227
229
231
233
235
238
237
239
241
241
243
243
245
247
Lu
Hf
Hf
Ta
Ta
Ta
W
Re
Re
Os
Os
Ir
Ir
Pt
Au
Hg
Hg
Tl
Tl
Pb
Pb
Bi
Po
Rn
Fr
Ra
Ac
Th
Pa
U
U
U
Np
Pu
Pu
Am
Am
Cm
Cm
Cm
StoneNJ.Table of Nuclear Magnetic Dipole and Electric Quadrupole Moments (2001)
[http://www.nndc.bnl.gov/nndc/stone_moments/nuclear-moments.pdf].
LBNLIsotopesProjectNuclearDataDisseminationHomePage. Table of Nuclear Moments
[http://ie.lbl.gov/toipdf/mometbl.pdf].
NUDAT2half-lifedata:http://www.nndc.bnl.gov/
13
NMRTables
Isotopessortedaccordingtospinandnucleonnumbers
1
3
3
13
15
19
29
31
57
77
89
103
107
109
111
113
115
117
119
123
125
129
169
171
183
187
195
199
203
205
207
209
211
225
239
251
2
6
14
7
9
11
21
23
33
35
37
H
H
He
C
N
F
Si
P
Fe
Se
Y
Rh
Ag
Ag
Cd
Cd
Sn
Sn
Sn
Te
Te
Xe
Tm
Yb
W
Os
Pt
Hg
Tl
Tl
Pb
Po
Rn
Ra
Pu
Cf
H
Li
N
Li
Be
B
Ne
Na
S
Cl
Cl
Isotope
Hydrogen
Tritium*
Helium
Carbon
Nitrogen
Fluorine
Silicon
Phosphorus
Iron
Selenium
Yttrium
Rhodium
Silver
Silver
Cadmium
Cadmium
Tin
Tin
Tin
Tellurium
Tellurium
Xenon
Thulium
Ytterbium
Tungsten
Osmium
Platinum
Mercury
Thallium
Thallium
Lead
Polonium*
Radon*
Radium*
Plutonium*
Californium*
Deuterium
Lithium
Nitrogen
Lithium
Beryllium
Boron
Neon
Sodium
Sulfur
Chlorine
Chlorine
Spin
1/2
1/2
1/2
1/2
1/2
1/2
1/2
1/2
1/2
1/2
1/2
1/2
1/2
1/2
1/2
1/2
1/2
1/2
1/2
1/2
1/2
1/2
1/2
1/2
1/2
1/2
1/2
1/2
1/2
1/2
1/2
1/2
1/2
1/2
1/2
1/2
1
1
1
3/2
3/2
3/2
3/2
3/2
3/2
3/2
3/2
39
41
53
61
63
65
69
71
75
79
81
87
131
135
137
139
155
157
159
189
191
193
197
201
227
231
17
25
27
47
55
67
85
91
95
97
99
101
105
121
127
141
145
151
153
161
163
K
K
Cr
Ni
Cu
Cu
Ga
Ga
As
Br
Br
Rb
Xe
Ba
Ba
Ce
Gd
Gd
Tb
Os
Ir
Ir
Au
Hg
Ac
Pa
O
Mg
Al
Ti
Mn
Zn
Rb
Zr
Mo
Mo
Ru
Ru
Pd
Sb
I
Pr
Pm
Eu
Eu
Dy
Dy
*UnstableisotopewithlifetimesuitableforNMR.
14
Isotope
Potassium
Potassium
Chromium
Nickel
Copper
Copper
Gallium
Gallium
Arsenic
Bromine
Bromine
Rubidium
Xenon
Barium
Barium
Cerium*
Gadolinium
Gadolinium
Terbium
Osmium
Iridium
Iridium
Gold
Mercury
Actinium*
Protactinium*
Oxygen
Magnesium
Alumin(i)um
Titanium
Manganese
Zinc
Rubidium
Zirconium
Molybdenum
Molybdenum
Ruthenium
Ruthenium
Palladium
Antimony
Iodine
Praeseodymium
Promethium*
Europium
Europium
Dysprosium
Dysprosium
Spin
3/2
3/2
3/2
3/2
3/2
3/2
3/2
3/2
3/2
3/2
3/2
3/2
3/2
3/2
3/2
3/2
3/2
3/2
3/2
3/2
3/2
3/2
3/2
3/2
3/2
3/2
5/2
5/2
5/2
5/2
5/2
5/2
5/2
5/2
5/2
5/2
5/2
5/2
5/2
5/2
5/2
5/2
5/2
5/2
5/2
5/2
5/2
173
185
187
229
237
241
243
10
39
43
45
49
51
59
123
133
139
143
145
147
149
165
167
175
177
181
235
245
249
253
73
83
87
93
99
113
115
179
209
138
212
50
176
Yb
Re
Re
Th
Np
Am
Am
B
Ar
Ca
Sc
Ti
V
Co
Sb
Cs
La
Nd
Nd
Sm
Sm
Ho
Er
Lu
Hf
Ta
U
Cm
Bk
Es
Ge
Kr
Sr
Nb
Tc
In
In
Hf
Bi
La
Fr
V
Lu
Isotope
Ytterbium
Rhenium
Rhenium
Thorium*
Neptunium*
Americium*
Americium*
Boron
Argon*
Calcium
Scandium
Titanium
Vanadium
Cobalt
Antimony
C(a)esium
Lanthanum
Neodymium
Neodymium
Samarium
Samarium
Holmium
Erbium
Lutetium
Hafnium
Tantalum
Uranium*
Curium*
Berkelium*
Einsteinium*
Germanium
Krypton
Strontium
Niobium
Technetium*
Indium
Indium
Hafnium
Bismuth
Lanthanum
Francium*
Vanadium
Lutetium
Spin
5/2
5/2
5/2
5/2
5/2
5/2
5/2
3
7/2
7/2
7/2
7/2
7/2
7/2
7/2
7/2
7/2
7/2
7/2
7/2
7/2
7/2
7/2
7/2
7/2
7/2
7/2
7/2
7/2
7/2
9/2
9/2
9/2
9/2
9/2
9/2
9/2
9/2
9/2
5
5
6
7
NMRTables
PropertiesofSelectedDeuteratedSolventsforNMR
MP
BP
RI
Dielec.
Solvent
Formula MWave Density
[°C]
[°C]
[nD20]
AceticAcid-d4
C2D4O2
64.08
1.119
15.9
115.5
1.368
6.1
11.65
2.04(5)
2.2
178.99
20(7)
20
Acetone-d6
C3D6O
64.12
0.872
–93.8
55.5
1.3554
20.7
2.05(5)
2.2
29.92(7)
206.68(13)
19.4
0.9
2.84/
2.81
Acetonitrile-d3
C2D3N
44.07
0.844
–46
80.7
1.3406
37.5
1.94(5)
2.5
1.39(7)
118.69
21
2.12
[d420]
[]
Hshift J(HD)
(Mult.)
1
[ppm]
[Hz]
CShift J(CD) H2O/
(Mult.)
HDO
Shift
[ppm]
[Hz] [ppm]
13
11.5
Benzene-d6
C6D6
84.15
0.950
6.8
79.1
1.4986
2.3
7.16
128.39(3)
24.3
0.4
Chloroform-d1
CDCl3
120.38
1.500
–64.1
60.9
1.4445
4.8
7.24
77.23(3)
32
1.55
2
1.38
26.43(5)
19
0.80
78.5
4.81
43.6(5)
23.5
Cyclohexane-d12
C6D12O
96.24
0.890
7
78
Deuteriumoxide
D2O
20.03
1.107
3.8
101.4
1,2-Dichloroethane-d4
C2D4Cl2
102.99
1.307
–35
83
1.443
3.72(5)
Dichloromethane-d2
CD2Cl2
86.95
1.362
–97
39.5
1.362
5.32(3)
Diethylether-d10
C4D10O
84.19
0.78
–116.3
34.6
3.34(m)
1.07(m)
Diethyleneglycol
dimethylether-d14
(diglyme-d14)
C6D14O3
148.26
0.95
–68
162
3.49(br)
3.40(br)
3.22(5)
1,2-Dimethoxyethane-d10 C4D10O2
(glyme-d10)
N,N-Dimethylformamide-d7
1.328
1.1
54(5)
27.2
65.3(5)
14.5(7)
21
19
1.5
70.7(5)
70(5)
57.7(7)
21
21
21
3.40(m)
3.22(5)
1.6
71.7(5)
57.8(7)
21
21
1.52
100.18
0.86
–58
83
C3D7NO
80.14
1.04
–60
153
1.428
36.7
8.03
2.92(5)
2.75(5)
1.9
1.9
163.15(3)
34.89(7)
29.76(7)
29.4
21.0
21.1
3.45
1.9
Dimethylsulfoxide-d6
C2D6OS
84.17
1.190
20.2
190
1.4758
46.7
2.50(5)
39.51(7)
21.0
3.3
1,4-Dioxane-d6
C4D8O2
96.16
1.129
12
99
1.4198
2.2
3.53(m)
66.66(5)
21.9
2.4
Ethanol-d6
C2D6O
52.11
0.888
–114.5
78
1.358
24.5
5.29
3.56
1.11(m)
56.96(5)
17.31(7)
22
19
Methanol-d4
CD4O
36.07
0.89
–99
65
1.3256
32.7
4.87
3.31(5)
49.15(7)
21.4
Methylcyclohexane-d14
C7D14
112.27
0.77
–126
101
1.4189
Nitrobenzene-d5
C6D5NO2
128.14
1.253
6
211
1.5498
148.6
134.8(3)
129.5(3)
123.5(3)
24.5
25
26
1.7
8.11(br)
7.67(br)
7.50(br)
Nitromethane-d3
CD3NO2
64.06
1.19
–26
100
1.3795
4.33(5)
62.8(7)
22
2-Propanol-d8
C3D8O
68.15
0.786
–89.5
82.4
1.3728
5.12
3.89(br)
1.10(br)
62.9(3)
24.2(7)
21.5
19
Pyridine-d5
C5D5N
84.13
1.02
–41
114
1.5079
8.74
7.58
7.22
150.35(3)
135.91(3)
123.87(3)
27.5
24.5
25
5.91(5)
74.2(5)
3.58
1.73
67.57(5)
25.37(5)
22.2
20.2
7.09(m)
7.00
6.98(m)
2.09(5)
137.86
129.24(3)
128.33(3)
125.49(3)
20.4(7)
23
24
24
19
12.4
Tetrachloroethane-d2
C2D2Cl4
169.86
1.7 –43
146
1.493
Tetrahydrofuran-d8
C4D8O
80.16
0.99
–108
64
1.4035
7.6
Toluene-d8
C7D8
100.19
0.94
–85
109
1.4932
2.4
2,2,2-Trifluoroacetic
Acid-d1
C2DF3O2
2,2,2-Trifluoroethanol-d3 C2D3F3
115.03
1.50
–15
71
1.30 11.50
87.06
1.42
–44
77
1.30 5.02
3.88(4x3)
2.3
126.3(4)
61.5(4x5)
4.86
2.42
2.2
4.97
1.5
164.2(4)
116.6(4)
2(9)
5.2
2.42
0.45
11.5
22
5
ThisTablesummarizesthephysicalpropertiesofdeuteratedsolventsandthechem.shifts(rel.toTMS)and
deuteriumcouplingsforthesolventsignalsandtheapproximateshiftsforresidualwater(lastcolumn).
15
NMRTables
1
HChemicalShiftsinOrganicCompounds
CChemicalShiftsinOrganicCompounds*
13
*Relativetointernaltetramethylsilane.
16
NMRTables
NChemicalShiftsinOrganicCompounds*
15
Ar-NO
S-NO
*Relativetoexternalliquidammoniaat25°C.Datatakenfrom:G.C.LevyandR.L.Lichter:"Nitrogen-15NuclearMagneticResonance
Spectroscopy",J.Wiley,1979.
11
BChemicalShifts*
*RelativetoexternalstandardBF3OEt2
17
NMRTables
OChemicalShifts*
17
*RelativetoexternalstandardH2O
SiChemicalShifts*
29
Ar-NO
*RelativetoSi(CH3)4.
18
S-NO
NMRTables
AlChemicalShifts*
27
alkyls,hydrides,andtheiradducts
halidesandAIX–4
O
halideadductswith
O-orP-donorligands
P
alkoxidesandtheiradducts
tetrahedralAIO4co-ordination
octahedralAIO6inhydrates,
hydroxides,aluminates,zeolites
200
150
100
50
0
ppm
*RelativetoAl(H2O) .
3+
6
MRITables
AbbreviationsandAcronymsUsedinMagneticResonanceImaging
Method
SINGLEPULSE
NSPECT
CSI
PRESS
STEAM
ISIS
DtiEpi
DtiStandard
EPI
FAIR_EPI
FC2D_ANGIO
FL2D_ANGIO
FISP
FLASH
GEFC
MDEFT
MGE
MSME
RARE
RAREVTR
RAREst
FLOW_MAP
UTE
FieldMap
SPIRAL
IntraGate-FLASH
Description
Basicpulse-and-acquirespectroscopy
Non-localizedspectroscopywithNOEanddecouplingoptions
ChemicalshiftimagingwithoptionalPRESSlocalization
LocalizedMRSwithdoublespinecho
LocalizedMRSwithstimulatedecho(forshortTE)
LocalizedMRSwithinversion-basedvoxeldefinition
DiffusiontensorimagingwithEPI(SEandSTE)
Diffusiontensorimagingwith2DFT(SEandSTE)
Echo-PlanarImaging(GEandSE),single-shotorinterleaved,
withnavigator-basedphasestabilizationandautomaticghostcorrection
Pulsedarterialspinlabelling-basedperfusionimagingwithEPI
Time-of-flightangiographyflow-compensated
Time-of-flightangiographyw/oflow-comp.(shortTE)
Fastgradientechowithsteadystatesignalselection(FID,echoorfully
balanced),andoptionalinversionrecoveryforT1mapping.
Gradientecho
Gradientechowithflowcompensation
T1-weghtedhi-resimagingwithinversion-recoverypreparation
Multiplegradientecho
MultiplespinechoincludingT2mapping
FastspinechobasedonCPMGsequence
RAREwithvariableTRforsimultaneousT1&T2mapping
FastspinechoforshortTEusingslew-rate-optimizedgradients
QuantitativeflowmappingandPC-angio
Ultra-shortTEradialscan
QuantitativeB0mapping,partoftheMAPSHIMtoolforlocalized
high-ordershimming
FastMRIwithspiralk-spacescan
Cardiacandrespiration-cinewithretrospective(trigger-free)gating
Equivalentacronyms
FID
FID
OSIRIS
PGSE-EPI
PGSE
TOF-angio
FLASH,FAST,FISP,PSIF,CE-FAST,
SSFP,GRASS,TrueFISP
FISP,GRASS,FAST
MPRAGE
FSE,TSE
HASTE
19
NMRTables
AdditivityParametersfor13CChemicalShiftsinSubstitutedBenzenes
dj=128.5+Si(dj),
Substituent
–H
–CH3
–CH2CH3
–CH(CH3)2
–C(CH3)3
–Cyclopropyl
–CH2Cl
–CH2Br
–CF3
–CH2OH
–CH=CH2
–CCH
–C6H5
–F
–Cl
–Br
Si(d1)referstothecarbonatombearingthesubstituent
Si(dl)
10.0
19.3
15.7
20.1
22.1
15.1
19.1
19.2
12.6
13.0
17.6
–6.1
13.0
35.1
16.4
–5.4
Si(d)
110.0
110.6
1–0.6
1–2.0
1–3.4
1–3.3
110.0
110.1
1–2.2
1–1.4
1–1.8
113.8
1–1.1
–14.3
110.2
1–3.3
Si(dm)
10.0
10.0
–0.1
10.0
–0.4
–0.6
10.2
10.4
10.3
10.0
–1.8
10.4
10.5
10.9
11.0
12.2
Si(dp)
–0.0
–3.1
–2.8
–2.5
–3.1
–3.6
–0.2
–0.3
–3.2
–1.2
–3.5
–0.2
–1.0
–4.4
–2.0
–1.0
Substituent
–I
–OH
–OCH3
–NH2
–N(CH3)2
–N(C6H5)2
–NO2
–CN
–NCO
–SC(CH3)3
–COH
–COCH3
–COOH
–COO–
–COOCH3
–COCl
Si(dl)
–32.3
126.9
130.2
119.2
122.4
119.3
119.6
–16.0
115.7
114.5
119.0
119.3
112.4
117.6
112.1
114.6
Si(d)
119.9
–12.7
–14.7
–12.4
–15.7
1–4.4
1–5.3
113.5
1–3.6
119.0
111.2
110.2
111.6
110.8
111.2
112.9
Si(dm)
12.6
11.4
10.9
11.3
10.8
10.6
10.8
10.7
11.2
–0.3
11.2
10.2
–0.1
10.0
10.0
10.6
Si(dp)
1–0.4
1–7.3
1–8.1
1–9.5
–11.8
1–5.9
116.0
114.3
1–2.8
110.0
116.0
114.2
114.8
112.8
114.4
117.0
SomeRepresentative19FChemicalShiftsReferencedtoCFCI3
d/ppm
d/ppm
d/ppm
MeF
EtF
CF2H2
CF3R
AsF5
BF3
IF7
SeF6
[SiF6]2-
XeF2
-271.9
-213
-1436
-60to-70
-66
-131
170
55
-127
258
CFBr3
CF2Br2
CFH2Ph
CF2Cl2
[AsF6]–
CIF3
MoF6
[SbF6]–
TeF6
XeF4
7.4
7
-207
-8
-69.5
116;-4
-278
-109
-57
438
FCH=CH2
F2C=CH2
F2C=CF2
C 6 F6 [BeF4]–
CIF5
ReF7
SbF5
WF6
XeF6
-114
-81.3
-135
-163
-163
247;412
345
-108
166
550
SomeRepresentative31PChemicalShiftsReferencedto85%H3PO4
(a)Phosphorus(III)compounds
(b)Phosphorus(V)compounds
d/ppm
d/ppm
d/ppm
d/ppm
PMe3
PEt3
P(n-Pr)3
P(i-Pr)3
P(n-Bu)3
P(i-Bu)3
P(s-Bu)3
P(t-Bu)3
-62
-20
-33
-19.4
-32.5
-45.3
7.9
63
PMeF2
PMeH2
PMeCl2
PMeBr2
PMe2F
PMe2H
PMe2Cl
PMe2Br
245
-163.5
192
184
186
-99
96.5
90.5
Me3PO
Et3PO
[ME4P]+
[PO4]3–
PF5
PCl5
MePF4
Me3PF2
36.2
48.3
24.4
6.0
-80.3
-80
-29.9
-158
Me3PS
Et3PS
[Et4P]+
[PS4]3–
[PF6]–
[PCl4]+
[PCl6]–
Me2PF3
59.1
54.5
40.1
87
-145
86
-295
8.0
20
NMRTables
SomeImportantSilylatedCompoundsUsedas1HShiftReferences
Name
Chemicalformula
Abbre-
viation
Mole-
cular
weigth
Boilingor
melting
point(°C)
d1Hppm
rel.TMS
Tetramethylsilane
(CH3)4Si
TMS
88.2
BP=26.3
0
Hexamethyldisilane
(CH3)3Si–Si(CH3)3
HMDS
146.4
BP=112.3
0.037
Hexamethyldisiloxane
(CH3)3Si–O–Si(CH3)3
HMDSO
162.4
BP=100
0.055
Hexamethyldisilazane
(CH3)3Si–NH–Si(CH3)3
HMDSA
161.4
BP=125
0.042
3-(trimethylsilyl)propanesulfonic
acidsoduimsalt
4,4-dimethyl-4-silapentanesodium
sulfonate
(CH3)3Si(CH2)3SO3Na
TSPSA
218.3
MP=200
0.015
DSS
(CH3)3Si(CH2)2COONa
TSP
168.2
MP>300
0.000
3-(trimethylsilyl)propionicacid
sodiumsalt
4,4-dimethyl-4-silapentanesodium
carboxylate
DSC
3-(trimethylsilyl)2,2,3,3-tetradeuteropropionicacidsodiumsalt
(CH3)3Si(CD2)2COONa
TSP-d4
172.2
MP>300
0.000
Octamethylcyclotetrasiloxane
(CH3)2Si[O–Si(CH3)2]3–O
OCTS
296.8
BP=175
MP=16.8
0.085
1,1,3,3,5,5-hexakis-(trideutero-
methyl)-1,3,5-trisilacyclohexane
(CD3)2Si–CH2–Si(CD3)2
CH2–Si(CD3)2–CH2
CS-d18
216.6
BP=208
-0.327
Tetrakis-(trimethylsilyl)-methane
[(CH3)3Si]4C
TTSM
304.8
MP=307
0.236
EnhancementFactorsNOEandINEPTforX{1H}NuclearOverhauserand
INEPTExperiments
X
NOE *
0.53
1.24
1.56
1.99
–4.93
–2.52
15.41
–15.80
–10.68
–1.33
11.86
INEPTb
1.06
2.47
3.12
3.98
–9.86
–5.03
30.82
–31.59
–21.37
–2.67
23.71
a
F
19
P
31
B
11
13
C
15
N
29
Si
57
Fe
Rh
103
109
Ag
Sn
119
W
183
Themaximumpossibleintensityenhancementisequalto1+NOEintheextremenarrowinglimit.
b
For19For31Paspolarizationsource(irradiatednucleus)thefactorsNOEandINEPTarereducedbythefactor
0.941[(19F)/(1H)]and0.405[(31P)/(1H)]
a
RelevantPropertiesofCryogenicFluids
(Liquidheliumandnitrogenareusedinsuperconmagnets)
Cryogen
Liquid
Helium
Normal Latent Amountof Liquid
Boiling Heat
Liquid
Density
Point
Evaporated
by1Watt
(K)
(J/g)
(l/hour)
(g/ml)
Gas
Density
atNTP
(g/ml)
Liquid
Enthalpy
Enthalpy
toNTP
Change(gas) Change(gas)
GasVolume B.P.to77K 77to300K
Ratio
(J/mole)
(J/mole)
4.2
20.9
1.038
0.125
1.79x10–4
1:700
384
1157
Liquid
Hydrogen
20.39
443 0.115
0.071
8.99x10–5
1:790
590
2900
Liquid
Nitrogen
77.55
198 0.023
0.808
1.25x10–3
1:650
–
1234
Liquid
Oxygen
90.19
212.5
0.015
1.014
1.43x10–3
1:797
–
FromBP:
1193
NTP=normalroomtemperatureandatmosphericpressure
21
NMRTables
1
H,1HCouplingConstantsinSelectedOrganicMolecules
H
X
CC
X
H
3
Jcis
11.6 Jtrans
3
2
19.1 J
2.5 X
H3C-CH2-X
3
J
Li
8.90
8.0
Li
19.3 23.9 7.1 Si(C2H5)3
COOH
10.2 17.2 1.7 H
7.5
CN
11.75
17.92
0.91
C6H5
7.62
C6H5
11.48
18.59
1.08
CN
7.60
CH3
10.02
16.81
2.08
I
7.45
OCH3
7.0 14.1 -2.0 Br
7.33
Cl
1.3 14.6 -1.4 CH3
7.26
Br
7.1 15.2 -1.8 Cl
7.23
F
4.65
12.75
-3.2 N(C2H5)2
7.13
OC2H5
6.97
+
H
H
X
H1
J(1,2)
3
3
J(1,3)
3
J(2,4)
O(C2H5)2
3
J(3,5)
3
J(2,5)
4.7
2
J(2,3)
H
8.97
5.58
8.97
8.97
5.58
-4.34
Cl
7.01
3.58
10.26
10.58
7.14
-6.01
Br
7.13
3.80
10.16
10.45
7.01
-6.12
I
7.51
4.37
9.89
9.97
6.63
-5.94
NH2
6.63
3.55
9.65
9.89
6.18
-4.29
CN
8.43
5.12
9.18
9.49
7.08
-4.72
COOH
8.04
4.57
9.26
9.66
7.14
-4.00
COCl
7.88
4.43
9.19
9.99
7.59
-4.46
COCH3
7.96
4.55
8.76
9.60
6.94
-3.41
H2
H3
H5
X
2 1
X
H4
X
3
4 5
J(1,2)
3
4
J(1,3)
5
J(1,4)
4
J(1,5)
3
J(2,3)
4
J(2,4)
H
7.54
1.37
0.66
1.37
7.54
Li
6.73
1.54
0.77
0.74
1.42
1.37
1.29
CH3
7.64
1.25
0.60
1.87
7.52
1.51a
COOCH3
7.86
1.35
0.63
1.79
7.49
1.31
I
7.93
1.14
0.47
1.88
7.47
1.75
Br
8.05
1.12
0.46
2.1 7.44
1.78
Cl
8.05
1.13
0.48
2.27
7.51
1.72
NH2
8.02
1.11
0.47
2.53
7.39
1.60
a4J(1,CH )-0.75
3
5J(2,CH3)0.36
6
J(3,CH3)-0.62
N(CH3)2
8.40
1.01
0.43
2.76
7.29
1.76
N(CH3)3
8.55
0.92
0.48
3.05
7.46
1.69
NO2
8.36
1.18
0.55
2.40
7.47
1.48
b3J(1,F)8.91
4J(2,F)5.69
5
J(3,F)0.22
OH
8.17
1.09
0.49
2.71
7.40
1.74
OCH3
8.30
1.03
0.44
2.94
7.36
1.76
F
8.36
1.07
0.43
2.74
7.47
1.82b
SubstituentEffectS(i,j)forJHHinMonosubstitutedBenzenes
pos.i,j
1,2
1,3
1,4
1,5
2,3
2,4
22
F
+0.81
–0.34
–0.24
+1.21
–0.04
+0.39
Cl
+0.61
–0.23
–0.16
+0.87
+0.03
+0.34
Br
+0.53
–0.27
–0.20
–0.71
–0.05
+0.36
I
+0.39
–0.25
–0.19
+0.51
–0.04
+0.37
NO2
+0.77
–0.20
–0.16
+1.02
–0.07
+0.08
OCH3
+0.79
–0.32
–0.22
+1.33
–0.16
+0.38
NMRTables
TypicalStrayFieldDataforNMRMagnetSystems
Magnet
System
1
HMHz/mmBore
AxialDistance(m)from
MagnetCenterto
5Gauss(0.5mT)Line
RadialDistance(m)from
MagnetCenterto
5Gauss(0.5mT)Line
200MHz/154mmUSPLUSLH
1.80
0.90
300MHz/54mmUSLH
0.90
0.60
300MHz/54mmFourierUSLH
0.90
0.60
300MHz/54mmAscendULH
0.90
0.60
300MHz/89mmAscend
1.10
0.55
2.00
1.00
400MHz/54mmAscend
1.00
0.50
1.00
0.50
400MHz/54mmAscendRS
1.00
0.50
400MHz/89mmAscend
1.20
0.60
400MHz/89mmAscendDNP
1.50
1.10
2.55
1.50
500MHz/54mmAscend
1.20
0.60
1.20
0.60
500MHz/54mmAscendRS
1.20
0.60
500MHz/89mmAscend
1.20
0.60
2.55
1.50
600MHz/54mmAscend
1.40
0.70
1.40
0.70
600MHz/89mmAscend
2.00
1.00
600MHz/89mmAscendDNP
2.00
1.00
700MHz/54mmAscend
1.60
0.80
750MHz/54mmAscend
2.00
1.00
750MHz/89mmAscend
2.80
1.40
800MHz/54mmAscend
2.50
1.50
850MHz/54mmAscend
2.70
1.60
850MHz/89mmUS2WB
4.60
3.30
900MHz/54mmUS2
4.60
3.30
900MHz/89mmUS2WB
4.60
3.30
950MHz/54mmUS2
4.60
3.30
1000MHz/54mmUltraStabilized
15.00
12.00
LH=LongHold,ULH=UltraLongHold
23
NMRTables
AbbreviationsandAcronymsUsedinMagneticResonance
2D
Two-Dimensional
3D
Three-Dimensional
ACCORDION 2Dtechnique,simultaneousincrementingof
evolutionandmixingtimes
ADA
AlternatedDelay
Acquisition
ADC
Analog-to-DigitalConverter,ApparentDiffusion
Constant
ADEQUATE AstonishinglySensitive
DoublEQUAntumTransfer
Experiment
ADLF
AdiabaticDemagnetization
intheLaboratoryFrame
BLEW-n
Burum-Linder-ErnstWindowlesshomonuc.dipolar
dec.sequenceofnpulses
CONOESY
CombinedCOSY/NOESY
CORMA
BMS
BulkMagnetic
Susceptibility
COmpleteRelaxation
MatrixAnalysis
CORY-n
BOLD
BloodOxygenationLevelDependentcontrast(MRI)
CORYmodificationof
BR-n
COSS
BOSS
BimOdalSlice-Selective
COrrelationwithShift
Scaling
BP
BiPhasic
COSY
COrrelatedSpectroscopY
BPP
Bloembergen/Purcell/
Pound(theory)
COSY-45
COSYwith45°mixing
pulse
BR-n
Burum-Rhimhomonuclear
dipolardecoupling
sequenceofnpulses
BSP
Bloch-SiegertPhase
BURP
Band-selectiveUniform
ResponsePure-phase
pulse
ADRF
AdiabaticDemagnetization
intheRotatingFrame
A.E.COSY
AlternativeExclusive
COSY
bTFE
balancedTurboFieldEcho
AFP
AdiabticFastPassage
BW
BandWidth
AHT
AverageHamiltonian
Theory
BWR
Bloch-Wangsness-Redfield
theory
AJCP
AdiabaticJ Cross
Polarization
CA
ContrastAgent
AMCP
Amplitude-Modulated
CrossPolarization
ANGIO
MRANGIOgraphy
APHH-CP
Adiabatic-Passage
Hartmann-HahnCross
Polarization
APT
AttachedProtonTest
AQ
AcQuisition
ARP
AdiabaticRapidPassage
ASIS
AromaticSolvent-Induced
Shift
ASL
ASTM
ArterialSpinLabeling
AmericanSocietyfor
TestingandMaterials
CAMELSPIN Cross-relaxationAppropriateforMinimolecules
EmulatedbyLockedSPINs
CBCA(CO)
Cb (i-1)andCa (i-1),N(i),
NH
HN(i)3Dcorrel.
CBCANH
Cb (i,i-1)andCa (i,i-1),N(i),
HN(i)3Dcorrel.
CCPPA
CoupledCluster
PolarizationPropagator
Approximation
CE
Contrast-Enhanced
CEST
CH-COSY
ChemicalExchange
SaturationTransfer
Carbon-Hydrogen
COrrelationSpectroscopY
COSYDEC
COSYwithF1DECoupling
COSYLR
COSYforLong-Range
couplings
CP
CrossPolarization,Circular
Polarization
CPD
Composite-Pulse
Decoupling
CPMAS
CrossPolarizationMagicAngleSpinning
CPMG
Carr-Purcell-Meiboom-Gill
Sequence
CRAMPS
CombinedRotationAnd
MultiplePulse
Spectroscopy
CRAZED
CorrelatedSpectroscopy
RevampedbyAsymmetric
Z-gradientEchoDetection
CRINEPT
Cross-correlatedRelaxationenhancedINEPT
CS
ContiguousSlice
CSA
ChemicalShiftAnisotropy
CSCM
ChemicalShiftCorrelation
Map
CSI
ChemicalShiftImaging
CT
ConstantTime
CW
ContinuousWave
CYCLCROP
CYCLicCROssPolarization
CYCLicallyOrderedPhase
Sequence
CYCLicPOlarization
Transfer
CHESS
CHEmicalShiftSelective
ImagingSequence
CYCLOPS
CHIRP
CYCLPOT
BroadBand,
asindecoupling
rfpulsewithlinearfreq.
modulation
CIDEP
BDR
BroadbandDipolar
Recoupling
ChemicallyInducedDynamicElectronPolarization
CIDNP
bEPI
ChemicallyInducedDynamicNuclearPolarization
blippedEPI
CINE
bFFE
“movie-like”MRI
balancedFast-FieldEcho
CISS
BIRD
BIlinearRotation
Decoupling
BASE
BB
BAsisimagingwith
SElective-inversion
preparation
DAC
Digital-to-AnalogConverter
DAISY
DirectAssignmentInterconnectionSpectroscopY
DANTE
ConstructiveInterference
SteadyState
DelayAlternatingwith
NutationforTailored
Excitation
DAS
DynamicAngleSpinning
CNR
NMRinPresenceofan
ElectricDirectCurrent
Contrast-to-NoiseRatio
DCNMR
BIRD/2
halfBIRD,bilinearπ /2
pulse
COLOC
COrrelatedSpectroscopy
viaLOng-RangeCoupling
DD
Dipole-Dipole
BLEW
Awindowlessmultiplepulsedecouplingsequence
COLOC-S
COLOCwithSuppression
ofone-bondcorrelations
DE
DualEcho,
DrivenEquilibrium
24
NMRTables
DECSY
Double-quantumEcho
CorrelatedSpectroscopY
DRAMA
DEFT
DrivenEquilibriumFourier
Transform
DREAM
DEPT
DistortionlessEnhancementbyPolarization
Transfer
DEPTH
spin-echosequencefor
spatiallocalization
DEPTQ
DEPTincludingquaternary
carbons
DFT
DiscreteFourier
Transformation
DICE
DIrectConnectivity
Experiment
DICOM
DigitalImagingandCOmmunicationsinMedicine
DRESS
DipolarRecoveryAtthe
MagicAngle
Double-quantumRelay
EnhancementbyAdiabatic
Mixing
DepthRESolved
Spectrosocpy
Fourier-AcquiredSTeady
State
FASTB0FieldMAPpingfor
shimming
FATE
FAstTurboEcho
Data-ShiftAcquisition
FC
FlowCompensation
DSC
DynamicSusceptibility
Contrast
FC2D_ANGIO Flow-Compensatedtimeof-flight2DANGIOgraphy
FE
FieldEcho,Frequency
Encoding
FFE
FastFieldEcho
DoubleTiltedRotating
CoordinateFrame
DTSE
DoubleTurboSpinEcho
DIPSI
Composite-pulse
DecouplingInthePresence
ofScalarInteractions
DUMBO
DISCO
DIfferencesandSums
withinCOSY
DecouplingUsingMindBogglingOptimization–
anumericallyoptimized
phase-modulatedhomonuc.
dipolardec.sequence
DLB
DifferentialLine
Broadening
DWI
Diffusion-Weighted
Imaging
DNMR
DynamicNMR
E-BURP
ExcitationBURPpulse
D.NOESY
Directcross-relaxation
NOESY
EC
EddyCurrents
E.COSY
ExclusiveCOrrelation
SpectroscopY
DipolarOrderPolarization
Transfer
FastAdvancedSpinEcho
FAST
DSA
DiscreetIsolationfrom
Gradient-Governed
EliminationofResonances
DOPT
FASE
FASTMAP
DiffusionTensorImaging
DoubleCOnstant-Time
sequence
Flow-sensitiveAlternating
InversionRecovery
Diffusion-Reducedwater
signalsinspectroscopYof
moleCulesmovingsLowEr
thANwater
DTRCF
DOC
FAIR
DRYCLEAN
DualSpinEcho
DynamicNuclear
Polarization
FASEAcq.withDouble
Echo
DRIVenEquilibrium
DSE
DNP
FlipAngle
FADE
DRIVE
DTI
DIGGER
FA
ECO-WURST WURSTdecouplingwith
EliminationofCycling
Oscillations
EFG
ElectricFieldGradient
EM
ExponentialMultiplication
FFLG
Flip-FlopLee-Goldburg
decoupling
FFT
FastFourierTransform
FGRE
FastGradient-Recalled
Echo
FID
FreeInductionDecay
FIDS
FIttingofDoubletsand
Singlets
FieldMap
B0FieldMappingfor
localizedshimming
FIRFT
FastInversion-Recovery
FourierTransform
FISP
FastImagingwithSteadystatePrecession
FL2D_ANGIO FLow-sensitive
2DANGIOgraphy
FLAIR
FLuidAttenuation
Inversion-Recovery
DOR
Double-Orientation
Rotation
EMF
ElectroMagneticField
ElectroMotiveForce
FLASH
DOSY
Diffusion-Ordered
SpectroscopY
FastLow-AngleSHot
imaging
ENDOR
Electron-NuclearDOuble
Resonance
FLOCK
DOUBTFUL
DOUBleQuantum
TransitionforFinding
UnresolvedLines
Long-rangeHETCORusing
3BIRDpulses
FLOPSY
DPFGSE
DoublePulsedField
GradientSpinEcho
DQ
DoubleQuantum
DQC
DoubleQuantum
Coherence
DQF
DoubleQuantumFilter
DQF-COSY
DoubleQuantumFiltered
COSY
DQSY
Double-QuantumCOSY
DQ/ZQ
DoubleQuantum/Zero
QuantumSpectroscopy
ENMR
ElectrophoreticNMR
EPI
Echo-PlanarImaging
EPR
ElectronParamagnetic
Resonance
EPS
Echo-PlanarSpectroscopy
ES,ESP
EchoSpacing
E-SHORT
EnhancedSHORT
repetitionMRI
ESR
ElectronSpinResonace
E.TACSY
ExclusiveTACSY
Flip-FlOPSpectroscopY
FLOW_MAP Quantitative
FLOWMAPpingand
PC-angiography
FMP
FastMultiPlanar
fMRI
functionalMRI
FOCSY
FOldover-Corrected
SpectrospcopY
FONAR
Field-focusingMRI
FOV
FieldOfView
FPT
FinitePerturbationTheory
EXORCYCLE 4-stepphasecycleforspin
echoes
FR
FrequencyEncoding
EXSY
FS
FatSaturation,FastScan
EXchangeSpectroscopY
25
NMRTables
FSE
FastSpinEcho
HCANNH
Frequency-SwitchedLeeGoldburg–ahomonuc.
dipolardec.scheme
Ha(i ),Ca(i ),N(i ),HN(i )
3Dcorrel.
HORROR
FSLG
double-quantumHOmonucleaRROtaryResonance
(H)CC(CO)
NH
Ca,b,...(i ),N(i +1),HN(i +1)
3Dcorrel.
HQQC
HeteronuclearQuadrupleQuantumCorrelation
FSPGR
FastSPoiledGRadient
Echo
HR
HighResolution
HRPA
HigherRandomPhase
Approximation
HS
HomoSpoil
HSL
HeteronuclearSpinLock
HSQC
HeteronuclearSingleQuantumCoherence
HTQC
HeteronuclearTripleQuantumCorrelation
I-BURP
InversionBURPpulse
ICE
IndirectConnectivity
Experiment
IDESS
ImprovedDEpthSelective
singlesurfacecoil
Spectroscopy
FWHM
Full(line)WidthatHalf
Maximum
GARP
GlobalyOptimizedAlternatingPhaseRectangular
Pulses
GE
GradientEcho
GEFC
GradientEchowithFlow
Compensation
gem-COSY
geminal-filteredCOSY
GES
Gradient-Echo
Spectroscopy
HCCH-COSY Ha(i ),Ca(i ),Hb(i )
3Dcorrel.
HCCHtotalcorrelationofsideTOCSY
chainHandC
HDQC
HeteronuclearDoubleQuantumCorrelation
HEED
Hahnspin-EchoExtendeD
sequence
HET2DJ
HETeronuclear
2DJ-correlated
HETCOR
HETeronuclearCORrelation
Spectroscopy
HETLOC
HETeronuclearLOng-range
Couplings
HEHAHA
HEteronuclearHArtmann
HAhn
GFE
GradientFieldEcho
HMBC
IDR
InvertedDirectResponse
GRASE
GRAdientandSpinEcho
HeteronuclearMultipleBondCorrelation
IEPI
InterleavedEPI
GRASP
GRadient-Accelerated
SPectroscopy
HMQ
HeteronuclearMultipleQuantum
IFT
InverseFT
IGLO
HMQC
HeteronuclearMultipleQuantumCoherence
IndividualGaugefor
differentLocalizedOrbitals
HMSC
HeteronuclearMultiple-
andSingle-bond
Correlation
INADE-
QUATE
IncredibleNaturalAbudanceDoublEQUAnatum
TransferExperiment
INAPT
HNCA
HN(i ),N(i ),Ca(i )and
Ca(i -1)3Dshiftcorrelation
INEPTwithselective1H
excitation
INDOR
HNCA-J
3DHNCAtomeasure
3
J (HN,Ha)
INternuclearDOuble
Resonance
INEPT
InsensitiveNuclei
EnhancedbyPolarization
Transfer
INEPT+
INEPTwithrefocusingperiodforin-phasemultiplets
INEPT-R
INEPTRefocusedfor1Hdec.spectra
INSIPID
INadequateSensitivity
ImprovementbyProton
IndirectDetection
IntraGateFLASH
Cardiacandrespiration
cineMRIwithretrospective(trigger-free)gating
INVERSE
H,Xcorrelationvia1H
detection
IPAP
In-PhaseAnti-Phase
(in2D)
IR
Inversion-Recovery
IRMA
IterativeRelaxationMatrix
Analysis
ISECR
In-phaSECRosspeaks
(method)
FT
FourierTransform
FUCOUP
FUllyCOUPled
Spectroscopy
GRASS
Gradient-RecalledAcquisitionintheSteadyState
GRE
Gradient-RecalledEcho
GRECCO
GRadient-Enhanced
CarbonCOupling
GROESY
GROPE
Gradient-Enhanced
Selective1DROESY
Generalizedcompensation
forResonanceOffsetand
PulselengthErrors
GS
GradientSpectroscopy
gs-...
gradient-selected...(e.g.
gs-COSY)
H,X-COSY
H,Xshiftcorrelation
(X-detected)
HASTE
Half-FourierAcquisition
Single-shotTurbospin
Echo
HBHA
(CBCACO)
NH
HCACO
Hb(i -1)andHa(i -1),N(i ),
HN(i )3Dcorrel.
Ha(i ),Ca(i ),C'O(i )
3Dcorrel.
HCACON
Ha(i ),Ca(i ),C'O(i ),N(i +1)
4Dcorrel.
HCA(CO)N
Ha(i ),Ca(i ),N(i +1)
3Dcorrel.
HCA(CO)
NNH
Ha(i ),Ca(i ),N(i +1),
HN(i +1)4Dcorrel.
26
HN(CA)NNH HN(i ),N(i ),N(i +1)and
N(i -1)3Dcorrel.
HN(CA)CO HN(i ),N(i ),C'O(i ),and
C'O(i -1)3Dshiftcorrelation
H(N)CACO HN(i ),Ca(i ),C'O(i )
3Dshiftcorrelation
HNCAHA
HN(i ),N(i ),Ca(i ),Ha(i )
4Dshiftcorrelation
HNCO
HN(i ),N(i ),C'O(i -1)
3Dshiftcorrelation
HN(CO)CA HN(i ),N(i ),Ca(i -1)
3Dshiftcorrelation
H(N)COCA HN(i +1),C'O(i ),Ca(i )
3Dshiftcorrelation
HN(CO)
HN(i +1),N(i +1),Ca(i ),
CAHA
Ha(i )4Dshiftcorrelation
HOESY
HeteronuclearOverhauser
EffectSpectroscopY
HOHAHA
HOmonuclearHArtmannHAhnSpectroscopy
NMRTables
ISIS
IST
IVIM
Image-SelectedIn-vivo
Spectroscopy(single-voxel)
IrreducibleSpherical
Tensor
IntraVoxelIncoherent
Motion
MGE
MultipleGradientEcho
MINIP
MINinmumIntensity
Projection
MSOFT
MultiSliceOff-resonance
FaTSuppression
MSP
MultipleSensitivePoint
Multiple-SteppedPGSE
MIP
MaximumIntensity
Projection
MSPGSE
MT
MLEV
MagnetizationTransfer
M.Levitt’sCPDsequence
MTC
MLM
MaximumLikelihood
Method
MagnetizationTransfer
Contrast
JCP
J Cross-Polarization
J-mod
Jmodulation
JR
Jump-and-Return
sequence(90y--90-y)
MTSA
MOTSA
MultipleOverlappingThin
Slab(Slice)Acquisition
MultipleThin-Slab
Acquisition
J-res
J-resolved2D
MUSIC
MP
MUltiplicity-SelectiveInphaseCoherencetransfer
LAS
LaboratoryAxisSystem
MultiplePulse,MultiPlanar,
Magnetization-Prepared
MVS
LASE
Low-AngleSE
MPFn
MultipleVolume
Spectroscopy
LB
LineBroadening(viaEM)
NEDOR
LG
Lorentz-Gausswindow
function
Multiple-PulseDecoupling
withPhaseandFrequency
Switchingwithnoffsets
MP-GR
NuclearElectronicDOuble
Resonance
NERO
LIS
LanthanideInducedShift
MultiPlanarGradient-RecalledAcq.inSteadyState
LORG
MPR
NonlinearExcitationwith
RejectiononResonance
LocalORiGin
MultiPlanarReconstruction
NEWS
LOcalizedSpectroscopY
NEX
NumberofEXcitations
LP
LinearPolarization,Linear
Prediction
Magnetization-Prepared
RApidGradientEcho
(MP-GRE)
Narrow-gapnon-Excitation
forWaterSuppression
LOSY
MP-RAGE
NMR
NuclearMagnetic
Resonance
LPSVD
LinearPredictionusing
SingularValue
Decomposition
NOE
NuclearOverhauserEffect
LSR
MQF
LanthanideShiftReagent
Multiple-QuantumFilter
NOE-DIFF
LUT
MQHPT
NOE-DIFFerence
spectroscopy
LookUpTable
NOESY
NOE-based2Dshift
correlation
MAGROFI
MAgnetizationGrid
ROtating-FrameImaging
MultipleAnalysisby
ReductionofCrosspeaks
andOrderingofPatternsin
anOverdeterminedLibrary
Organization
Multiple-Quantum
HeteronuclearPolarization
Transfer
MQS
Multiple-Quantum
Spectroscopy
NOVEL
NuclearOrientationVia
ElectronspinLocking
MR
MagneticResonance
MRA
MRAngiography
MREV-n
MARDIGRAS
MatrixAnalysisofRelaxationforDIstanceGeometRy
ofanAqueousStructure
Mansfield-Rhim-EllemanVaughanhomonuc.dipolar
dec.cycleofnpulses
MRV
MRVenography
MARF
MagicAngleinthe
RotatingFrame
MRI
MAS
Magic-AngleSpinning
MASS
Magic-AngleSample
Spinning
MAST
MARCO
POLO
MQ
Multiple-Quantum
MQC
Multiple-Quantum
Coherence
NPW
NoPhaseWrap
NQCC
NuclearQuadrupole
CouplingConstant
NQR
NuclearQuadrupole
Resonance
NQS
Non-Quaternary
Suppression
MagneticResonance
Imaging
NSPECT
MRS
Non-localized
SPECTroscopy
MagneticResonance
Spectroscopy
OBTUSE
MRSI
MotionArtifact
SuppressionTechnique
MagneticResonance
SpectroscopicImaging
OffsetBinomialTailored
forUniformSpectral
Excitation
OCS
MRT
OptimizedCosine-Sine
pulse
MDEFT
ModifiedDriven
EquilibriumFTmethod
MagneticResonance
Tomography
ODMR
MS
MultiSlice
OpticallyDetected
MagneticResonance
ME
MultiEcho
mSENSE
modifiedSENSE
OS
OvercontiguousSlices
MS-EPI
MultiShotEPI
OSIRIS
MSHOT-n
MagicSandwichHighOrderTruncationhomonuc.dipolardecoupling
sequencewithnTREV-4
sandwiches
Outer-Volume-Suppressed
Image-RelatedInvivo
Spectroscopy–amodificationofISIS
PACE
ProspectiveAcquisition
CorrEction
PAR
Phase-AlternatedRotation
ofmagnetization
MEDUSA
Techniqueforthe
DeterminationofDynamic
Structures
MEM
MaximumEntropyMethod
MEMP
MultiEchoMultiPlanar
MESS
MultiEchoSingleShot
MFISP
MirroredFISP(PSIF)
MSME
MultiSliceMultiEcho
(T2mapping)
27
NMRTables
PARACEST
PARAmagneticChemical
ExchangeSaturation
Transfer
PRFT
PAS
PrincipalAxisSystem
PC
PhaseContrast
PCA
PhaseContrastAngiography
PS-COSY
Phase-SensitiveCOSY
P.COSY
PurgedCOSY
PSD
PD
ProtonDensity
PSIF
PDLF
Proton-DetectedLocal
Field
PE
PartiallyRelaxedFourier
Transform
PROPELLER PeriodicallyRotatedOverlappingParallELLineswith
EnhancedReconstruction
PS
PartialSaturation
RELAY
RELAYedCorrelation
Spectroscopy
REPAY
ReverseEditingofProtons
AccordingtomultiplicitY
REREDOR
Rotor-EncodedREDOR
REST
REgionalSaturation
Technique
Phase-SensitiveDetection
RF
RadioFrequency
mirroredFISP
(SEacquisition)
RFDR
RF-DrivenRecoupling
PT
RF-FAST
PolarizationTransfer
RF-spoiledFAST
PhaseEncoding
PW
RFOV
PulseWidth
RectangularFOV
P.E.COSY
PrimitiveE.COSY,Purged
ExclusiveCOSY
PWI
RICE
Perfusion-Weighted
Imaging
RapidImagingusingCompositeEcho
PEDRI
Proton-ElectronDouble
ResonanceImaging
RIDE
RIngDownElimination
Q
QualityFactor(ofRF
coil/circuit)Quantitative
...(e.g.QMRI,QCSI)
RINEPT
ReverseINEPT
RISE
RapidImagingusingSpin
Echo
RMSD
Root-Mean-Square
Deviation
PELF
Proton-EncodedLocalField
PENDANT
PolarizationENhancement
DuringAttachedNucleus
Testing
QF
Quadrupolemoment/Field
gradient(interactionor
relaxationmechanism)
PEP
PreservationofEquivalent
Pathways
QFlow
FlowQuantification
ROAST
QPD
PFG
PulsedFieldGradient
QuadraturePhase
Detection
ResonantOffsetAveraging
intheSTeadyState
RODI
PFGSE
PulsedFieldGradientSpin
Echo
QUEST
QUickEchoSplitImaging
Technique
ROtatin-gramerelaxation
DispersionImaging
ROE
PGSE
PulsedGradientSpinEcho
QUIPSS
PISEMA
PolarizationInversionwith
SpinExchangeatthe
MagicAngle
QUantitativeImagingof
PerfusionusingaSingle
Subtraction
Rotating-frameOverhauser
Effect
ROESY
ROE-based2Dshift
correlation
RAM
RapidAcquisitionMatrix
ROI
RegionOfInterest
RARE
RapidAcquisition
RelaxationEnhanced
ROPE
RespiratoryOrderedPE
ROTO
ROESY-TOCSYRelay
RAREst
RAREwithshorttEusing
slew-rate-optimized
gradients
RPA
RandomPhase
Approximation
RR
RotationalResonance
RAREVTR
RAREwithVariableTR
(simultaneousT1&T2
mapping)
RSSARGE
RF-SpoiledSARGE
RT
RespiratoryTrigger
RUFIS
RotatingUltraFastImaging
Sequence
PITANSEMA PolarizationInversionTime
AveragedNutationSpin
ExchangeattheMagic
Angle
PJR
Power-adaptedJumpand
Return
PMFG
PulsedMagneticField
Gradient
PMLG
Phase-Modulated
Lee-Goldburgdipolar
decoupling
PMRFI
Phase-ModulatedRotatingFrameImaging
POF
ProductOperator
Formalism
POMMIE
PhaseOscillationsto
MaxiMIzeEditing
POST
PermutationallyOffsetSTabilized
RASE
RapidAcquisitionSpin
Echo
RBW
ReceiverBandWidth
RCF
RotatingCoordinateFrame
RCT
RelayedCoherence
Transfer
RE
RapidExcitation(MRI)
REAPDOR
RotationalEchoAdiabatic
PassageDOuble
Resonance
SARGE
Spoiledsteady-state
AcquisitionwithRewinded
GradientEcho
SAT
SATuration
SB
Sine-Bellwindowfunction
SC
ScalarCoupling
S.COSY
COSYwithshiftScaling
inF1
RefocusedBand-selective
UniformResponsePure
phase
MultistepRElayed
CoherenceSpectroscopY
SCT
SCanTime
SCUBA
RotationalEchoDOuble
Resonance
StimulateCrosspeaks
UnderBleachedAlphas
SD
SpinDipolar
ProtonRelaxation
Enhancement
Presat
Presaturation(usuallyof
solvent)
RECSY
Point-RESolved
Spectroscopy
REDOR
28
ShieldingAnisotropy
SpecificAbsorptionRate
(RF)
RE-BURP
PRE
PRESS
SA
SAR
NMRTables
SDDS
SpinDecoupling
DifferenceSpectroscopy
SINGLE
PULSE
SINGLEPULSE-acquire
spectroscopy
SR
Saturation-Recovery
SDEPT
SelectiveDEPT
SIS
Substituent-InducedShift
SRP
Self-RefocusingPulse
SE
SpinEcho
SJR
SliceSelection(gradient),
SingleSlice
SECSY
Spin-EchoCorrelated
SpectroscopY
Second-orderJumpand
Return
SS
SKEWSY
SSB
ShiftedSine-Bellwindow
function
SEDOR
Spin-EchoDOuble
Resonance
SKEWedExchange
SpectroscopY
SL
Spin-Lockpulse
SSFP
Steady-StateFree
Precession
SEDRA
SimpleExcitationfor
DephasingofRotational
echoAmplitudes
SLF
SeparatedLocalField
SSFSE
Single-ShotFSE
SLITDRESS
SLIceinTerleavedDepth
REsolvedSurfacecoil
Spectroscopy
SSI
SolidStateImaging
SSMP
Single-SliceMultiple-Phase
ssNMR
solid-stateNMR
SSTSE/T2
Single-ShotTSEwithT2
weighting
ST
SaturationTransfer,Slice
Thickness
STAGE
SmallTipAngleGE
STE
STimulatedEcho
STEAM
STimulatedEchoAcquisitionModeforimaging
STEP
STEProgressiveImaging
STERF
Steady-StateTEchnique
withRefocusedFID
STIR
ShortT1InversionRecovery
STREAM
SuppressedTissuewith
REfreshmentAngiography
Method
STUD
Sech/TanhUniversal
Decoupling–anadiabatic
decouplingscheme
SEDUCE
SElectiveDecoupling
UsingCraftedExcitation
SEFT
Spin-EchoFourier
TransformSpectroscopy
(withJmodulation)
SELCOSY
SELectiveCOSY
SELTICS
SidebandELiminationby
TemporaryInterruptionof
theChemicalShift
SELINCOR
SELectiveINverse
CORrelation
SELINQUATE SELectiveINADEQUATE
SELRESOLV SELectiveRESolutionof
C,HCoupling
SEMS
Spin-EchoMultiSlice
SEMUT
SubspectralEditing
Usinga
MUltiple-QuantumTrap
SENSE
SENSitivityEncoding
sEPI
spiralEPI
SEPT
SelectiveINEPT
SERF
SElectiveReFocussing
SESAM
SEmi-SelectiveAcquisition
Modulated(Decoupling)
SLOPT
Spin-LOckingPolarization
Transfer
SMART
ShimadzuMotionArtifact
ReductionTechnique
SMASH
ShortMinimumAngle
SHot,SiMultaneous
AcquisitionofSpatial
Harmonics
SNRorS/N Signal-to-NoiseRatio
SOPPA
Second-OrderPolarization
PropagatorApproach
SORS/STC Slice-selectiveOff-ResonanceSincPulse/SaturationTransferContrast
SPACE
SPAtialandChemical-Shift
EncodedExcitation
SPAIR
SPectralSelectionAttenuatedInversionRecovery
SPECIFIC-CP SPECtrallyInduced
FilteringInCombination
withCrossPolarization
SPEED
SwapPhasE-EncodedData
SPGR
SPoiledGradient-Recalled
SPI
SelectivePopulation
Inversion
SPIDER
SUBMERGE SUppressionByMistuned
EchoandRepetitive
GradientEpisodes
SUSAN
Steady-stateProjection
ImagingwithDynamic
EchoTrainReadout
Spindecouplingemploying
Ultra-broadbandinversion
sequencesgeneratedvia
SimulatedANnealing
SPIO
SWATTR
SelectiveWaterAttenuationbyT2andT1Relaxation
SelectiveHEteronuclear
CORrelation
SuperParamagneticIron
Oxide
SPIR
SVS
Single-Volume
Spectroscopy
SHORTrepetition
techniques
SpectralPresaturation
Inversion-Recovery
SPIRAL
MRIwithSPIRALk-space
scan
T1...
T1-weighted...(method)
T1W
T1-Weighted
SPRITE
Single-PointRampedImagingwithT1Enhancement
T2...
T2-weighted...(method)
T2W
T2-Weighted
SelectivePopulation
Transfer
T2*W
T2*-Weighted
TACSY
TAyloredCorrelation
SpectroscopY
TANGO
TestingforAdjacent
NucleiwithaGyration
Operator
SFAM
SimultaneousFreq.and
Ampl.Modulation
SFORD
SingleFrequencyOffResonanceDecoupling
SGSE
Steady-GradientSpin-Echo
SHECOR
SHORT
SI
SpectroscopicImaging
SIAM
Simultaneousacq.of
In-phaseandAntiphase
Multiplets
SIP
SaturationInversion
Projection
SIMBA
SINEPT
SPT
SQ
Single-Quantum
SelectiveInverseMultipleBondAnalysis
SQC
Single-Quantum
Coherence
SINE-dependentPT
SQF
Single-QuantumFilter
29
NMRTables
TART
TipAngleReduced
T1Imaging
TrueFISP
TD
TriggerDelay,
TimeDifference
TS
TimeofSaturation
TSE
TCF
TimeCorrelationFunction
TSETSE
TE
TimedelaybetweenexcitationandEchomaximum
TEDOR
Transferred-EchoDOuble
Resonance
TEI
TEInterleaved
TF
TurboFactor
TFE
TurboFieldEcho
TGSE
TurboGradientSpinEcho
THRIVE
T1WHigh-ResolutionIsotropicVolumeExamination
TI
TimefollowingInversion
TIR
TurboIR
TMR
TopicalMagnetic
Resonance
TOBSY
TOtalthrough-Bond
correlationSpectroscopY
WFOP
WaterFatOpposedPhase
WFS
WaterFatSeparation
(ShiftDifference)
TurboSpinEcho
WHH-n
double-resonanceTwoSpinEffectforcorrelation
spectroscopy
WAHUHAdec.cycleofn
pulses
WIM-n
WindowlessIsotropicMixingdec.cycleofnpulses
TSR
TotalSR
WURST
TurboFLASH
FLASHsequenceduring
oneIRperiod
U-BURP
UniversalBURPpulse
Wideband,UniformRate,
andSmoothTruncation
–anadiabaticdecoupling
sequence
UE
UnpairedElectron
(relaxationmechanism)
XCORFE
H,XCORrelationusinga
FixedEvolutiontime
UFSE
UltraFastSE
XD-NOESY
eXchange-Decoupled
NOESY
UNCOSY
UNiformexcitationCOSY
X-FILTER
USPIO
UltraSmallParamagnetic
IronOxide
Selectionof1H-1HcorrelationwhenbothHare
coupledtoX
UTE
Ultra-shortTEradialscan
X-HALFFILTER
Selectionof1H-1HcorrelationwhenoneHis
coupledtoX
FISPwithbalanced
gradientwaveform
UTSE
Ultra-shortTSE
VAPRO
VAriablePROjection
method
Z-COSY
Z-filteredCOSY
Z-FILTER
pulsesandwichforeliminationofsignalcomponents
withdispersivephase
TOCSY
TOtalCorrelation
SpectroscopY
VAS
VariableAngleSpinning
VE
Velocity-Encoded
TOF
Time-Of-Flight
VEC
TruncatedNOE
Velocity-EncodedCine
(MRI)
ZECSY
TOE
Zero-Quantum-Echo
CorrelationSpectroscopY
TONE
Tilt-Optimized
NonsaturatedExcitation
VEMP
Variable-EchoMultiPlanar
ZIP
VENC
VelocityENCodingvalue
Zero-fillInterpolation
Processing
TORO
TOCSY-ROESYRelay
VEST
ZQ
ZeroQuantum
TOSS
TOtalSuppressionof
Sidebands
VolumeExcitation
STimulatedechoes
VIGRE
TPPI
Time-ProportionalPhase
Incrementation
VolumetricInterpolated
GRadientEcho
VOI
VolumeOfInterest
TPPM
Two-PulsePhase
Modulation
VOSING
VOlume-selectiveSpectral
editING
TPR
TimeandPhaseReversal
VOSY
TQ
Triple-Quantum
VOlume-Selective
SpectroscopY
TQF
Triple-QuantumFilter
VPS
TR
TimeforRepetitionof
excitation
T/R
ZQC
Zero-QuantumCoherence
ZQF
Zero-QuantumFilter
ZZSpectroscopy
Selectionofcoherences
involvingZZorlongitudinal
two-spinorder
ZZZSpectroscopy
Selectionofcoherences
involvinglongitudinal3-spin
order
VolumesPerSegment
-COSY
VSOP
VerySmallsuperparamagneticironOxideParticles
COSYwithlow-angle
mixingpulse
-COSY
Transmit/Receive
WAHUHA
TRAPDOR
TRAnsferofPopulationsin
DOubleResonance
WAugh-HUber-HAeberlen
Sequence
pseudo-COSYusing
incrementedfreq.-
selectiveexcitation
WALTZ
TRCF
TiltedRotatingCoordinate
Frame
CPDSequenceContaining
theElements1-2-3
TREV-n
Time-REVersalecho
sequenceofnpulsesfor
homonuc.dipolardec.
WATERGATE
WATERsuppression
throughGrAdientTailored
Excitation
WATR
WaterAttenuationby
TransverseRelaxation
WEFT
WaterEliminatedFourier
Transform
WET
WatersuppressionEnhancedthroughT1effects
TRNOE
TRansferredNOE
TROSY
TransverseRelaxation
OptimizedSpectroscopY
T-ROESY
TransverseROESY
30
NMRTables
SymbolsforNMRandRelatedQuantities*
Romanalphabet
a or A
Hyperfine(electron-nucleus)coupling
constant
Aq(l,m)
Themthcomponentofanirreducible
tensoroforder lrepresentingthenuclear
spinoperatorforaninteractionoftypeq
B
B o
B1,B2
BL
C
CX
D
Di,j
D C
D P
E
F
F1,F2orf1,f2
Magneticfield(strictlythemagneticflux
densityormagneticinduction)
^
Nuclearspinoperatorforagroup,G,
ofnuclei
FG
FG
g
G
Ĥ
H i,j
Î j
Îj+,Îj –
Ij
J
n
JAB
J()
n
KAB
StaticmagneticfieldofanNMR
spectrometer
Radiofrequencymagneticfieldsassociated
withfrequencies1,2
Localmagneticfieldofrandomfieldor
dipolarorigin
Spin-rotationinteractiontensor
Spin-rotationcouplingconstantof
nuclideX
Dipolarinteractiontensor
Dipolarcouplingconstantbetween
nuclei(iandj),inHz
Nuclearreceptivityrelativetothatof13C
Nuclearreceptivityrelativetothatof1H
Electricfieldstrength
Spectralwidth
Thetwofrequencydimensionsofa
two-dimensionalspectrum
Magneticquantumnumberassociated
^
withFG
Nuclearorelectronicgfactor
(Landésplittingfactor)
Magneticfieldgradientamplitude
Hamiltonianoperator
MatrixelementofHamiltonianoperator
Nuclearspinoperatorfornucleus j
‘Raising’and‘lowering’spinoperators
fornucleusj
Magnetidcquantumnumberassociated
withÎ j
Indirectcouplingtensor
Spin-spincouplingconstantfornuclei
AandBthroughnbondsinHz
Spectraldensityoffluctuationsatangular
frequency
L
mj
mtot
mtot(X)
Angularmomentum
EigenvalueofÎ j z(magneticcomponent
quantumnumber)
Totalmagneticcomponentquantumnumber
foraspinsystem(eigenvalueofjÎj z)
Totalmagneticcomponentquantum
numberforX-typenuclei
Mo
Mx,My,Mz
Mn
n,n
Populationsoftheandspinstates
N
Totalnumberofnucleiofagiventype
perunitvolumeinthesample
q
Electricfieldgradienttensorinunitsofthe
elementarycharge
eQ
RX1
RX2
Nuclearquadrupolemoment,Qisinm2and
eistheelementarychargeinC
RX1p
Longitudinalrelaxationrateconstantfor
nucleusXinthereferenceframerotating
withB1
Equilibriummacroscopicmagnetization
perunitvolumeinthepresenceofBo
Componentsofmacroscopicmagnetization
pervolume
nthmomentofspectrum(M2=second
moment,etc.)
Spin-lattice(longitudinal)relaxationrate
constantfornucleusX
Spin-spin(transverse)relaxationrate
constantfornucleusX
S
Signalintensity
S
^
Electron(or,occasionally,nuclear)spin
operator;cf. Î
t1,t2
Timedimensionsfortwo-dimensionalNMR
T c
T X1
T X2
T 2*
Coalescencetemperatureunderchem.
exchangeforsignalsinanNMRspectrum
Spin-spin(transverse)relaxationtime
oftheXnucleus
NetdephasingtimeforMxorMy
T X1p
LongitudinalrelaxationtimefortheXnucleus
inthereferenceframerotatingwithB1
Td
Tac
Pulse(recycle)delay
Acquisitiontime
Tq(l,m)
Themthcomponentofanirreducible
tensoroforderl representingthestrength
ofaninteractionoftypeq
Spin-lattice(longitudinal)relaxationtime
oftheXnucleus
Reducednuclearspin-spincoupling
constantK AB=42JAB/hAB)inT 2J –1
* IUPAC Recommendations: Magnetic Resonance in Chemistry, Vol. 36, 145-149 (1998)
31
NMRTables
SymbolsforNMRandRelatedQuantities*
 1
V
V  Electricfieldgradienttensor.V =eq,
whereeistheelementarycharge
ElementsofCartesianelectricfield
gradienttensor
2
Wo,W1,W2
Relaxationrateconstants
(transitionprobabilitiespertime)between
energylevelsdifferingby0,1and2inmtot
Ξ X
Wrs
Transitionprobabilitybetweenspinstates
rands

Nuclearspinwavefunction
(eigenfunctionofÎ z)forthe
mI=+½stateofaspin-½nucleus
E


^
 i j

 j
ll, 
TheErnstangle(foroptimumsensitivity)
Nuclearspinwavefunction
(eigenfunctionofÎz)forthe
mI=−½stateofaspin-½nucleus
^ 
Greekalphabet
 X
d X
FrequencyofprimaryRFmagnetic
fieldB1(excitation,detection)
FrequencyofsecondaryRFmagnetic
fieldB2(decoupling)
Normalizedresonancefrequency
fornucleusXrelativetoνHfor
tetramethylsilane(TMS)atthesame
BOfield;Ξx=100νx/νH(TMS)
Densitymatrix
Densityoperator
Elementofmatrixrepresentationof^
Shieldingtensor
(Isotropic)shieldingconstantofnucleusj
Componentsofshieldingtensorparallel
andperpendiculartothesymmetryaxis
Reduceddensityoperator
(i)TimebetweenRFpulsesorrecoverytime
followinginversion
(ii)lifetimeindynamicNMRstudies
MagnetogyricratioofnucleusX
Chemicalshift(fortheresonance)of
nucleusofelementX,usuallyinppm
Populationdifferencebetweennuclear
states(noatBoltzmannequilibrium)
d
 null
Changeordifferencein d
Fullwidthinfrequencyunitsofa
resonancelineathalf-height
 p
sc
Permittivityofthevacuum
Anisotropyinshielding,expressed
aszz-iso
sr
 II, 
Correlationtimeforspin-rotationrelaxation
Anisotropyin[=zz-½(xx+YY)]
(i)Susceptibilityanisotropy(=ll-);
(ii)differenceinelectronegativities
Pulseduration
Correlationtimeforrelaxationbythescalar
mechanism

j,o,1,2

(i)Magneticsusceptibility;
(ii)nuclearquadrupolecouplingconstant
(=e²qZZQ/h)
1,2
AngularfrequencyofRFfieldsB1,B2
n
d 1/2


 o




µ
µo
µB
µN
 j
o
 c
(i)NuclearOverhauserenhancement;
(ii)tensorasymmetryfactor;(iii)viscosity
Skewofatensor
Angle,especiallyforthatbetweenagiven
vectorandBo
(i)Magneticdipolemoment(componentµz
alongBo);(ii)electricdipolemoment
Correlationtimeformolecularmotion,
especiallyforisotropicmoleculartumbling
Dwelltimefordatasampling
RecoverytimeleadingtonullMz
aftera180°pulse
Correlationtimesformoleculartumbling
parallelandperpendiculartothesymmetry
axis
Asforj,o,1,2butinangular
frequencyunits(rad/s)
Spanofatensor
Permeabilityofthevacuum
Bohrmagneton(earlierβe)
Nuclearmagneton(earlierβN)
Larmororresonancefrequencyofnucleusj
(inHz)
(i)Spectrometeroperatingfrequency;
(ii)BasicLarmororresonancefrequency
foragivenisotope
* IUPAC Recommendations: Magnetic Resonance in Chemistry, Vol. 36, 145-149 (1998)
32
NMRTables
HChemicalShiftsforCommonContaminantsinDeuteratedSolvents
1
Proton
CH3
CH3
CH3
CH
CH3
OHc
CCH3
OCH3
ArH
OHc
ArCH3
ArC(CH3)3
CH
CH2
CH2
CH2
CH3
CH2
CH2
CH2
OCH3
CH3
CH2
CH3CO
NCH3
NCH3
CH
CH3
CH3
CH3
CH2
CH3
CH2
OH
CH3CO
CH2CH3
CH2CH3
CH3CO
CH2CH3
CH2CH3
CH
CH3
CH2
CH3
CH2
CH3
CH3
OH
CH3
CH3
CH2
residualsolventH
H2O
aceticacid
acetone
acetonitrile
benzene
t-butanol
t-butylmethylether
BHTb
chloroform
cyclohexane
1,2-dichloroethane
dichloromethane
diethylether
diglyme
1,2-dimethoxyethane
dimethylacetamide
dimethylformamide
dimethylsulfoxide
dioxane
ethanol
ethylacetate
ethylmethylketone
ethyleneglycol
”grease”f
n-hexane
HMPAg
methanol
nitromethane
n-pentane
mult.,J CDCl3 (CD3)2CO(CD3)2SO C6D6
s
s
s
s
s
s
s
s
s
s
s
s
s
s
s
s
s
t,7
q,7
m
m
s
s
s
s
s
s
s
s
s
s
s
t,7
q,7d
sc,d
s
q,7
t,7
s
q,7
t,7
se
m
brs
t
m
d,9.5
sh
sc,h
s
t,7
m
Reprinted with permission from: J. Org. Chem. 1997, 62, 7512-7515
7.26
1.56
2.10
2.17
2.10
7.36
1.28
1.19
3.22
6.98
5.01
2.27
1.43
7.26
1.43
3.73
5.30
1.21
3.48
3.65
3.57
3.39
3.40
3.55
2.09
3.02
2.94
8.02
2.96
2.88
2.62
3.71
1.25
3.72
1.32
2.05
4.12
1.26
2.14
2.46
1.06
3.76
0.86
1.26
0.88
1.26
2.65
3.49
1.09
4.33
0.88
1.27
2.05
2.84a
1.96
2.09
2.05
7.36
1.18
1.13
3.13
6.96
2.22
1.41
8.02
1.43
3.87
5.63
1.11
3.41
3.56
3.47
3.28
3.28
3.46
1.97
3.00
2.83
7.96
2.94
2.78
2.52
3.59
1.12
3.57
3.39
1.97
4.05
1.20
2.07
2.45
0.96
3.28
0.87
1.29
0.88
1.28
2.59
3.31
3.12
4.43
0.88
1.27
2.50
3.33a
1.91
2.09
2.07
7.37
1.11
4.19
1.11
3.08
6.87
6.65
2.18
1.36
8.32
1.40
3.90
5.76
1.09
3.38
3.51
3.38
3.24
3.24
3.43
1.96
2.94
2.78
7.95
2.89
2.73
2.54
3.57
1.06
3.44
4.63
1.99
4.03
1.17
2.07
2.43
0.91
3.34
0.86
1.25
2.53
3.16
4.01
4.42
0.86
1.27
7.16
0.40
1.55
1.55
1.55
7.15
1.05
1.55
1.07
3.04
7.05
4.79
2.24
1.38
6.15
1.40
2.90
4.27
1.11
3.26
3.46
3.34
3.11
3.12
3.33
1.60
2.57
2.05
7.63
2.36
1.86
1.68
3.35
0.96
3.34
1.65
3.89
0.92
1.58
1.81
0.85
3.41
0.92
1.36
0.89
1.24
2.40
3.07
2.94
0.87
1.23
CD3CN CD3OD
1.94
2.13
1.96
2.08
1.96
7.37
1.16
2.18
1.14
3.13
6.97
5.20
2.22
1.39
7.58
1.44
3.81
5.44
1.12
3.42
3.53
3.45
3.29
3.28
3.45
1.97
2.96
2.83
7.92
2.89
2.77
2.50
3.60
1.12
3.54
2.47
1.97
4.06
1.20
2.06
2.43
0.96
3.51
0.86
1.27
0.89
1.28
2.57
3.28
2.16
4.31
0.89
1.29
D2O
3.31
4.87
1.99
2.15
2.03
7.33
1.40
4.79
1.15
3.20
6.92
1.21
3.22
2.21
1.40
7.90
1.45
3.78
5.49
1.18
3.49
3.61
3.58
3.35
3.35
3.52
2.07
3.31
2.92
7.97
2.99
2.86
2.65
3.66
1.19
3.60
2.08
2.22
2.06
1.24
1.17
3.56
3.67
3.61
3.37
3.37
3.60
2.08
3.06
2.90
7.92
3.01
2.85
2.71
3.75
1.17
3.65
2.01
4.09
1.24
2.12
2.50
1.01
3.59
0.88
1.29
0.90
1.29
2.64
3.34
2.07
4.14
1.24
2.19
3.18
1.26
3.65
4.34
0.90
1.29
4.40
2.61
3.34
© 1997 American Chemical Society
33
NMRTables
HChemicalShiftsforCommonContaminantsinDeuteratedSolvents(continued)
1
Proton
mult.
CH3
CH
CH(2)
CH(3)
CH(4)
CH3
CH2
CH2O
CH3
CH(o/p)
CH(m)
CH3
CH2
d,6
sep,6
m
m
m
s
m
m
s
m
m
t,7
q,7
i-propanol
pyridine
siliconegreasei
tetrahydrofuran
toluene
triethylamine
CDCl3 (CD3)2CO(CD3)2SO C6D6
1.22
1.10
4.04
3.90
8.62
8.58
7.29
7.35
7.68
7.76
0.07
0.13
1.85
1.79
3.76
3.63
2.36
2.32
7.17 7.1-7.2
7.25 7.1-7.2
1.03
0.96
2.53
2.45
1.04
3.78
8.58
7.39
7.79
1.76
3.60
2.30
7.18
7.25
0.93
2.43
CD3CN CD3OD
0.95
1.09
3.67
3.87
8.53
8.57
6.66
7.33
6.98
7.73
0.29
0.08
1.40
1.80
3.57
3.64
2.11
2.33
7.02 7.1-7.3
7.13 7.1-7.3
0.96
0.96
2.40
2.45
1.50
3.92
8.53
7.44
7.85
0.10
1.87
3.71
2.32
7.16
7.16
1.05
2.58
D2O
1.17
4.02
8.52
7.45
7.87
1.88
3.74
0.99
2.57
InthesesolventstheintermolecularrateofexchangeisslowenoughthatapeakduetoHDOisusuallyalsoobserved;itappears
at2.81and3.30ppminacetoneandDMSO,respectively.Intheformersolvent,itisoftenseenasa1:1:1triplet,with2JH,D=1Hz.
2,6-di-tert-butyl-4-methylphenol. cThesignalsfromexchangeableprotonswerenotalwaysidentified. dInsomecases(seenotea),
thecouplinginteractionbetweentheCH2andtheOHprotonsmaybeobserved(J=5Hz).eInCD3CN,theOHprotonwasseenas
amultipletatd 2.69,andextracouplingwasalsoapparentonthemethylenepeak.fLong-chain,linearaliphatichydrocarbons.Their
solubilityinDMSOwastoolowtogivevisiblepeaks. gHexamethylphosphoramide. hInsomecases(seenotesa, d),thecoupling
interactionbetweentheCH3andtheOHprotonsmaybeobserved(J=5.5Hz). iPoly(dimethylsiloxane).ItssolubilityinDMSOwas
toolowtogivevisiblepeaks.
a
b
13
CChemicalShiftsforCommonContaminantsinDeuteratedSolvents
solventsignals
aceticacid
acetone
acetonitrile
benzene
t-butanol
t-butylmethylether
BHT
chloroform
cyclohexane
1,2-dichloroethane
dichloromethane
diethylether
34
CO
CH3
CO
CH3
CN
CH3
CH
C
CH3
OCH3
C
CCH3
C(1)
C(2)
CH(3)
C(4)
CH3Ar
CH3C
C
CH
CH2
CH2
CH2
CH3
CH2
CDCl3
77.16
175.99
20.81
207.07
30.92
116.43
1.89
128.37
69.15
31.25
49.45
72.87
26.99
151.55
135.87
125.55
128.27
21.20
30.33
34.25
77.36
26.94
43.50
53.52
15.20
65.91
(CD3)2CO (CD3)2SO
29.84
206.26
172.31
20.51
205.87
30.60
117.60
1.12
129.15
68.13
30.72
49.35
72.81
27.24
152.51
138.19
129.05
126.03
21.31
31.61
35.00
79.19
27.51
45.25
54.95
15.78
66.12
39.52
171.93
20.95
206.31
30.56
117.91
1.03
128.30
66.88
30.38
48.70
72.04
26.79
151.47
139.12
127.97
124.85
20.97
31.25
34.33
79.16
26.33
45.02
54.84
15.12
62.05
C6D6
CD3CN
CD3OD
128.06
175.82
20.37
204.43
30.14
116.02
0.20
128.62
68.19
30.47
49.19
72.40
27.09
152.05
136.08
128.52
125.83
21.40
31.34
34.35
77.79
27.23
43.59
53.46
15.46
65.94
1.32
118.26
173.21
20.73
207.43
30.91
118.26
1.79
129.32
68.74
30.68
49.52
73.17
27.28
152.42
138.13
129.61
126.38
21.23
31.50
35.05
79.17
27.63
45.54
55.32
15.63
66.32
49.00
175.11
20.56
209.67
30.67
118.06
0.85
129.34
69.40
30.91
49.66
74.32
27.22
152.85
139.09
129.49
126.11
21.38
31.15
35.36
79.44
27.96
45.11
54.78
15.46
66.88
D2O
177.21
21.03
215.94
30.89
119.68
1.47
70.36
30.29
49.37
75.62
26.60
14.77
66.42
NMRTables
CChemicalShiftsforCommonContaminantsinDeuteratedSolvents(continued)
13
a
diglyme
1,2-dimethoxyethane
dimethylacetamide
dimethylformamide
dimethylsulfoxide
dioxane
ethanol
ethylacetate
ethylmethylketone
ethyleneglycol
”grease”
n-hexane
HMPAb
methanol
nitromethane
n-pentane
i-propanol
pyridine
siliconegrease
tetrahydrofuran
toluene
triethylamine
CDCl3
(CD3)2CO (CD3)2SO
C6D6
CD3CN
CD3OD
D2O
CH3
CH2
CH2
CH3
CH2
CH3
CO
NCH3
NCH3
CH
CH3
CH3
CH3
CH2
CH3
CH2
CH3CO
CO
CH2
CH3
CH3CO
CO
CH2CH3
CH2CH3
CH2
CH2
CH3
CH2(2)
CH2(3)
CH3
CH3
CH3
CH3
CH2(2)
CH2(3)
CH3
CH
CH(2)
CH(3)
CH(4)
CH3
CH2
CH2O
CH3
C(i)
CH(o)
CH(m)
CH(p)
CH3
CH2
59.01
70.51
71.90
59.08
71.84
21.53
171.07
35.28
38.13
162.62
36.50
31.45
40.76
67.14
18.41
58.28
21.04
171.36
60.49
14.19
29.49
209.56
36.89
7.86
63.79
29.76
14.14
22.70
31.64
36.87
50.41
62.50
14.08
22.38
34.16
25.14
64.50
149.90
123.75
135.96
1.04
25.62
67.97
21.46
137.89
129.07
128.26
125.33
11.61
46.25
58.77 57.98
71.03 69.54
72.63 71.25
58.45 58.01
72.47 17.07
21.51 21.29
170.61 169.54
34.89 37.38
37.92 34.42
162.79 162.29
36.15 35.73
31.03 30.73
41.23 40.45
67.60 66.36
18.89 18.51
57.72 56.07
20.83 20.68
170.96 170.31
60.56 59.74
14.50 14.40
29.30 29.26
208.30 208.72
36.75 35.83
8.03 7.61
64.26 62.76
30.73 29.20
14.34 13.88
23.28 22.05
32.30 30.95
37.04 36.42
49.77 48.59
63.21 63.28
14.29 13.28
22.98 21.70
34.83 33.48
25.67 25.43
63.85 64.92
150.67 149.58
124.57 123.84
136.56 136.05
1.40
26.15 25.14
68.07 67.03
21.46 20.99
138.48 137.35
129.76 128.88
129.03 128.18
126.12 125.29
12.49 11.74
47.07 45.74
58.66
70.87
72.35
58.68
72.21
21.16
169.95
34.67
37.03
162.13
35.25
30.72
40.03
67.16
18.72
57.86
20.56
170.44
60.21
14.19
28.56
206.55
36.36
7.91
64.34
30.21
14.32
23.04
31.96
36.88
49.97
61.16
14.25
22.72
34.45
25.18
64.23
150.27
123.58
135.28
1.38
25.72
67.80
21.10
137.91
129.33
128.56
125.68
12.35
46.77
58.90
70.99
72.63
58.89
72.47
21.76
171.31
35.17
38.26
163.31
36.57
31.32
41.31
67.72
18.80
57.96
21.16
171.68
60.98
14.54
29.60
209.88
37.09
8.14
64.22
30.86
14.43
23.40
32.36
37.10
49.90
63.66
14.37
23.08
34.89
25.55
64.30
150.76
127.76
136.89
26.27
68.33
21.50
138.90
129.94
129.23
126.28
12.38
47.10
59.06
71.33
72.92
59.06
72.72
21.32
173.32
35.50
38.43
164.73
36.89
31.61
40.45
68.11
18.40
58.26
20.88
172.89
61.50
14.49
29.39
212.16
37.34
8.09
64.30
31.29
14.45
23.68
32.73
37.00
49.86
63.08
14.39
23.38
35.30
25.27
64.71
150.07
125.53
138.35
2.10
26.48
68.83
21.50
138.85
129.91
129.20
126.29
11.09
46.96
58.67c
70.05c
71.63c
58.67c
71.49c
21.09c
174.57c
35.03c
38.76c
165.53c
37.54c
32.03c
39.39c
67.19c
17.47c
58.05c
21.15c
175.26c
62.32c
13.92c
29.49c
218.43c
37.27c
7.87c
63.17c
36.46c
49.50c
63.22c
24.38c
64.88c
149.18c
125.12c
138.27c
25.67c
68.68c
9.07c
47.19c
SeefootnotesforTable1. b2JPC=3Hz. cReferencematerial;seetext.
Reprinted with permission from J. Org. Chem. 1997, 62, 7512-7515
© 1997 American Chemical Society
35
NMRFormulae
Quantity
Formula
Definitions(SIunits)
(boldface=vectors)
(seeSIsectionforconstantsandunits)
MagneticField
MagneticForce
B=µoH
F=Qν×B
B=magn.fluxdensity,magn.induction(T)
H=magn.fieldstrength(Am–1)
µo=permeabilityofvacuum(4�×10–7Hm–1)
Q=elec.charge(C);ν=velocity(m/s)
NuclearSpin
SpinAngularMom.
Magn.Moment
I
ħ mI
µI=γ Iħ II=gIβNI
γ=magnetogyricratio(rads–1T–1);ħ=h/2�
βN=μB(nuclearmagneton);gI=nucleargfactor
mI=quantumno.(-I,-I+1,...+I)
ZeemanInteraction
LarmorFreq.
NutationVector
H=-µI·B0,E=-mIγ Iħ B0
ω0=γ I B0,ν0=γ– IB0
ω=– γ IB
ωinrads–1,νinHz(∆m I=±1),γ–=γ/2�
(clockwiseprecessioninlabframeforγ>0)
BoltzmannPop.Diff.
Equil.Magn.
∆N/N~γ Iħ/2kT(∆mI=±1)
M0=B0[Nγ I2ħ2I(I+1)/3kT]
N=numberofnucleiwithspinI
T=temperature(K)
RotatingFrame(r.f.)
andresidualfield
γ∆B0=γB0+ωr.f.
Ω=–γ ∆B0=ω0-ωr.f.
ωr.f.=rot.framevector(detectorfreq.)in
directionω0(-zaxisforγ>0)
∆B0=residualfieldinr.f.
Ω=precessionfreq.inr.f.(clockwiseinr.f.
forω0>ωr.f.)
EffectiveRFField
AmplitudeandTilt
Nutation
ω1=–γ B1,Beff=B1+∆B0
Beff=[B12+∆B02]1/2,tanθ=∆B0/B1
βeff(inrad)=–γBeffτp
–γ Beff(inHz)=1/(4τ90)
B1=RFfieldvectorinxyplane;nutationisccw
aroundωeff=–γBeff;θ=tiltanglebetweenBeff
andxy-plane;for∆B0/B1<0.1:θ<6°,Beff≈B1
τp=RFpulsewidth(s);τ90=90°pulse
Optimumflipangle
cosβopt=exp(-TR/T1)
TR=pulserepetitiontime
Relaxationrates
spin-lattice:R1=1/T1
spin-spin:R2=1/T2=π∆νo
∆νo=naturalLorentzianlinewidthathalf-height
BulkSusceptibility
Correction
forcylindricalsampleswithexternal
ref.incoaxialcapillary
δcorr=δobs+C(χref –χsample)
C=+2�/3(tubeperpendiculartoB0)
C=–4�/3(tubeparalleltoB0)
Spin-echoamplitude
M(2τ)=
inconstantB0gradient M0exp[-2τ/T2-(2/3)(γG)2Dτ 3]
90-τ-180-τHahnechowithgradientG
D=diffusioncoeff.ingradientdirection
Spin-echoattenuation
inPFG-SEexperiment
In(Secho/S0)=-bD
b=(γδG)2(∆-δ/3)
G=B0gradientpulseamplitude(T/m)
δ=pulsewidth;∆=pulsespacing
RotationalCorrelation
Time
Stokes-EinsteinRelation
τc=(4�ηr3)/(3kT)
τc=rot.correlationtimeforisotropictumbling
η=viscosity;r=molecularradius(sphere)
NuclearOberhauser
Enhancement
MS{I}/MS(0)=1+0.5(γ I /γ S)(R1IS/R1S)
(extremenarrowing;ωSτC<<1)
enhancementofspinSduetocontinuous
irradiationofspinI;R1IS=dipolarrelaxationofS
viaI;R1S=relaxationofSviaallmechanisms
PolarizationTransfer
MS{PT}/MS(0)=γ I /γ S
PTfromItoSviaJIS
LorentzianLineshape
a(ω)=R2/[R2 +∆ω ]
d(ω)=∆ω/[R22+∆ω2]
a(ω),d(ω)=absorption,dispersionsignals
∆ω=ω-Ω
36
2
2
NMRFormulae
NMRRelaxation
Mechanisms(isotropictumbling,SIunits)
Remarks
IntramolecularHeteronuclearDipole-Dipole
SpinIrelaxedbySpinS
R1I=EISrIS-6[(1/12)J0(ωI-ωS)+(3/2)J1(ωI)+(3/4)J2(ωI+ωS)]
R2I=EISrIS-6[(1/6)J0(0)+(1/24)J0(ωI-ωS)+(3/4)J1(ωI)+
(3/2)J1(ωS)+(3/8)J2(ωI+ωS)]
whereEIS=(µ0 /4�)2(γ Iγ Sħ)2S(S+1)
Extremenarrowing:R1I=(4/3)EISrIS-6τc(ωτc<<1)
ForseveralspinsS:use∑rIS-6
NB:T1I=1/R1IonlywhenSissaturated
Factor(µ0/4π)=10-7isrequired
forconversionfromcgs-Gaussunitsto
MKSA(SI)units.
SpectralDensitiesforrandom
isotropicrotation
Jq(ω)=Cq[τc /(1+ω2τc2)]
(q=0,1,2)
C0=24/15;C1=4/15;C2=16/15
extremenarrowing:Jq(ω)=Cqτc
IntramolecularHomonuclearDipole-Dipole
SpinIkrelaxedbySpinI1
R1I=EIrkl-6(3/2)[J1(ωI)+J2(2ωI)]
R1pI=EIrkl-6[(3/8)J0(ω1)+(15/4)J1(ωI)+(3/8)J2(2ωI)]
R2I=EIrkl-6[(3/8)J0(0)+(15/4)J1(ωI)+(3/8)J2(2ωI)]
whereEI=(µ0 /4�)2γ I4ħ2I(I+1)
Extremenarrowing:R1I=R2I=2EIrkl-6τc(ωτc<<1)
ForseveralspinsI:use∑rkl-6
IntermolecularHeteronuclearDipole-Dipole
SpinIonmol.ArelaxedbySpinSonmol.B(ωτC<<1)
R1I=16�cSEIS/(27rISDtrans)
(pairdistributionfunction=stepfunction)
IntermolecularHomonuclearDipole-Dipole
SpinIonmol.ArelaxedbySpinIonmol.B(ωτC<<1)
R1I=8�cIEI/(9rIIDtrans)
alsofoundintheliteratureis:
R1I=(4π/3)cIEI(τ/rII3)[1+(2rII2/5Dtransτ)]
Spherical
Harmonics
Sphericalharmonicsupto
rank2expressedinpolar
andorthogonalCartesian
coordinates
Y0,0
=
Y1,0
=
Y1,±1
=
Y2,0
=
Y2,±1
=
Y2,±2
=
EIS=(µ0 /4�)2(γ Iγ Sħ)2S(S+1)
cS=conc.ofspinsS
rIS=distanceofclosestapproach
Dtrans=(DA+DB)/2
EI=(µ0/4�)2γ I4ħ2I(I+1)
cI=conc.ofspinsI
rII=distanceofclosestapproach
τ=mol.jumptime
1
4
3
4 cos
3
±i
8 sin  e 5
2
16 (3cos  –1
15
±i
8 cos sin  e 15
32
sin2 e±2i
=
=
=
=
=
3
4
z
r
3 x±iy
8
r
5
2z2 – x2 – y2
r2
16
15 (x±iy)z
8
r2
15 (x±iy)2
32
r2
37
NMRFormulae
Mechanisms(isotropictumbling,SIunits)
Remarks
ChemicalShiftAnisotropy(CSA)
moleculartumblingmodulatestheinteractionofthechem.
shifttensorwiththeB0field.
R1=(2/5)ECSA[τc/(1+ω2τc2)]
R2=(1/90)ECSA{8τc+[6τc+(1+ω2τc2)]}
predominantrelaxationmech.fornonprotonatedXnuclei
ECSA=γ 2B02∆σ2
∆σ=σ┴-σ║(inppm)
(assumingaxialsymmetryoftensor)
QuadrupoleRelaxation(I>1/2)
R1=R2=(3/40)CI[1+η2/3]CQF2τc(ωτc<<1)
CI=(2I+3)/[I2(2I -1)]
CQF=e2Q qzz/ħ=quadrupolar
couplinginHz;η=asymmetryparam.
Spin-RotationInteraction(SR)
Relaxationarisesfromtheinteractionofthenuclearspin
withmagneticfieldsgeneratedbytherotationofa
molecularmagneticmomentmodulatedbymolecular
collisions:
1
(
T)
1SR
=
2I ikT 2
C effJ
3ħ2
Ii = momentofinertiaofthemolecule
Ceff = effectivespin-rotationalcouplingconstant
τJ = angularmomentumcorrelationtime
Ii
6kT
Withτc·τJ= ,wecanintroducethereorientational
correlationtimeandweobtain:
1
()
T
1SR
=
I 2i 2 1
C eff·
c
9ħ2
ScalarCoupling(SC)
ThisrelaxationmechanismcanoccurifthenucleusIin
questionisscalarcoupled(withcouplingconstantJ)
toasecondspin(S>½)andthecouplingismodulated
byeitherchemicalexchange(SCrelaxationofthe
firstkind)ortherelaxationofspinS,e.g.ifS>½,
(SCrelaxationofthesecondkind).Inthiscasespin
splittingsdisappearandsinglelinesareobserved.
1
()
T
=
SC
82J 2S(S+1)
1+(I-S)22SC
3
1
()
T
=
42J 2S(S+1)
SC
SC+
3
1+(I-S)22SC
1SC
2SC
[]
[]
τSC = τe,ifexchangetimeτeT1ofeitherspin(firstkind)
τSC = T SI(therelaxationtimeofspinS)ifT S1τe,1/2�J
(secondkind)
ωIandωSaretheresonanceofIandSatthemagnetic
1
fieldinwhichismeasured.
()
T
1,2SC
38

NMR Frequency Tables

Transcription

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