Journal of the Brazilian Chemical Society

JBCS
Journal of the Brazilian Chemical Society
Cover Picture
Special Issue Catalysis.
Contents
Editorial
2133
Catalysis in Brazil
Martin Schmal
ISSN 0103-5053
Vol. 25, No. 12, December, 2014
vi
J. Braz. Chem. Soc.
Letter
2137
Proposal of a Standard Unit for Turnover Frequencies: Hz
José R. Gregório, Bauer C. Ferrera, Rodrigo dos S. Fuscaldo
and Roberto F. de Souza
Account
2140
Ionic Liquids and Catalysis
Michèle O. de Souza
SI online
Graphical Abstract
Though electrochemists first used ionic liquids, the catalysis area
pioneered their applications
Communication
2151
SI online
Friedel-Crafts Alkylation of Toluene as a Parallel Reaction
in Propylene Dimerization Catalyzed by Nickel b-Diimine
Complex/EASC in Homogeneous Phase
Isabel Vicente, Katia Bernardo-Gusmão, Michèle O. de Souza
and Roberto F. de Souza
Graphical Abstract
Two competing reactions depending on the concentration of co-catalyst
and Ni complex: propylene oligomerization or Friedel-Crafts alkylation
with toluene (solvent)
Reviews
2157
Homogeneous Catalytic Dehydrogenation of Formic Acid:
Progress Towards a Hydrogen-Based Economy
Gábor Laurenczy and Paul J. Dyson
Graphical Abstract
Hydrogen/energy storage in the formic acid/carbon dioxide system
2164
Metallocene Supported on Inorganic Solid Supports: an
Unfinished History
Aline C. dos Ouros, Michèle O. de Souza and
Heloise O. Pastore
Graphical Abstract
Nanocomposite production requires the fillers randomly dispersed on
polymer matrix. In situ procedure combined with an ideal choice of
catalyst/support promote the production of a material with improved
properties for many applications
Vol. 25, No. 12, 2014
2186
Recent Progress in the Use of Pd-Catalyzed C-C CrossCoupling Reactions in the Synthesis of Pharmaceutical
Compounds
André F. P. Biajoli, Cristiane S. Schwalm, Jones Limberger,
Thiago S. Claudino and Adriano L. Monteiro
Graphical Abstract
This review is intended to give a picture of the applications of Pdcatalyzed C-C cross-coupling reactions for the synthesis of drug
components or drug candidates, regardless of the scale, from 2011
through to the end of July, 2014
2215
Catalysis for the Valorization of Low-Value C-Streams
Michele Aresta and Angela Dibenedetto
Graphical Abstract
The need for a better carbon management is pushing away from the
linear-carbon economy (LCE) towards carbon recycling (CR). This paper
discusses the valorization of selected low-value carbon streams such as
low-alkanes, CO2, residual biomass and process glycerol
2229
Catalytic Transformations of Ethanol for Biorefineries
Jean M. R. Gallo, José M. C. Bueno and Ulf Schuchardt
Graphical Abstract
In this critical review, it is discussed the development of heterogeneous
catalysts for the conversion of ethanol into commodity chemicals
Articles
2244
Ethylene Polymerization by 2-Methyl-8-(benzimidazol)
quinolyliron(II) Pre‑Catalyst: a DFT Understanding its Chain
Propagation and Transfer
Wenhong Yang, Toshiaki Taniike, Minoru Terano, Yan Chen and
Wen-Hua Sun
Graphical Abstract
The 2-methyl-8-(benzimidazol)quinolyliron(II) pre-catalyst is investigated
by the density functional theory (DFT) calculations to illustrate the
mechanism of ethylene polymerization along with understanding the
intermediates in the processes of chain propagation and transfer
2251
A New Approach to CO2 Capture and Conversion Using
Imidazolium Based-Ionic Liquids as Sorbent and Catalyst
Aline S. Aquino, Franciele L. Bernard, Michele O. Vieira,
Jéssica V. Borges, Marisol F. Rojas, Felipe Dalla Vecchia,
Rosane A. Ligabue, Marcus Seferin, Sonia Menezes and
Sandra Einloft
Graphical Abstract
A system constituted by a fluorinated ionic liquid plus ZnBr2 is presented
as a new approach to perform effective CO2 capture and conversion
vii
viii
J. Braz. Chem. Soc.
2258
New Isopropylmaltol - Ti Synthesis and its Use as a Catalyst
for Olefin Polymerization
Grasiela Gheno, Nara R. S. Basso, Marco A. Ceschi,
Jessé S. Costa, Paolo R. Livotto and Griselda B. Galland
Graphical Abstract
Novel synthetic route of isopropylmaltol from furfural in five steps and
complexation with TiCl­4 giving a new post-metallocene catalyst. The
novel complex was active in homogeneous ethylene polymerization,
giving high density polyethylene with high molecular weight
2266
SI online
Unsaturated Renewable Oil Transformation into Novel Biofuel
Compositions via an Olefin Metathesis-TransesterificationHydrogenation Sequence
Priscilla S. Lima, Leonildo A. Ferreira, Luiza H. Freitas,
Martin W. Rheinheimer, Yuri C. A. Sokolovicz and
Henri S. Schrekker
Graphical Abstract
An unsaturated vegetable oil was used as model substrate for the
preparation of biofuels via an olefin metathesis-transesterificationhydrogenation sequence
2272
Synthesis of n-Butylamine from Butyronitrile on Ni/SiO2:
Effect of Solvent
Darío J. Segobia, Andrés F. Trasarti and Carlos R. Apesteguía
Graphical Abstract
Ni/SiO2 activity and selectivity for the synthesis of n-butylamine from
butyronitrile hydrogenation greatly depends on the solvent nature. In
non-polar solvents, the solvent-catalyst interaction strength determines
the selectivity to n-butylamine: the stronger the solvent-catalyst
interaction the higher the n-buylamine yield
2280
SI online
Solid, Solution and Gas Phase Interactions of an ImidazoliumBased Task-Specific Ionic Liquid Derived from Natural Kojic
Acid
Brenno A. D. Neto, Alberto A. R. Mota, Claudia C. Gatto,
Giovanna Machado, Maíra Fasciotti, Heibbe C. B. de Oliveira,
Davi A. C. Ferreira, Otavio Bianchi and Marcos N. Eberlin
Graphical Abstract
The supramolecular interactions and organizational features of a taskspecific ionic liquid derived from the natural kojic acid have been
investigated by a set of techniques formed by single-crystal X-ray
diffraction, nuclear magnetic resonance (NMR) spectroscopy, UV-Vis
spectrophotometry, conductivity measurements, small angle X-ray
scattering (SAXS), electrospray (tandem) mass spectrometry (ESI-MS(/
MS)), and theoretical calculations
2295
SI online
Synthesis and Characterization of a Cationic Cyclopentadienyl
Nickel(II) Complex of Bis(mesityl-imino)acenaphthene and
its Evaluation as a New Catalyst Precursor for Ethylene
Polymerization
Cláudia A. Figueira, Alejandro F. G. Ribeiro, Clara S. B.
Gomes, Anabela C. Fernandes, Linda H. Doerrer and
Pedro T. Gomes
Graphical Abstract
The complex [Ni(h5-C5H5)(mesityl-BIAN)]PF6 catalyses the polymerization
of ethylene when activated by methylaluminoxane (MAO)
Vol. 25, No. 12, 2014
2304
Cadmium and Tin Magnetic Nanocatalysts Useful for
Biodiesel Production
Melquizedeque B. Alves, Fernando C. M. Medeiros, Marcelo H.
Sousa, Joel C. Rubim and Paulo A. Z. Suarez
Graphical Abstract
Magnetic mixed iron/tin oxide nanoparticles were used as catalysts in
relevant reactions for biodiesel production technologies
2314
Iridium Oxidation States in Catalytic Hydrogenation
Intermediates
Janeth Navarro, Marta Martín and Eduardo Sola
SI online
Graphical Abstract
The dihydride [IrH2(NCMe)3(PiPr3)]BF4 provides access to potential
intermediates in hydrogenations catalyzed by Crabtree-type
homogeneous catalysts, thus allowing experimental assessment of likely
hydrogenation sequences
2322
A DFT Study of the Conversion of CO2 in Dimethylcarbonate
Catalyzed by Sn(IV) Alkoxides
Renata C. de Souto, Nilton Rosenbach Jr. and
Claudio J. A. Mota
Graphical Abstract
Calculations on the catalytic activity of different R2Sn(OCH3)3 species on
the reaction between CO2 and methanol to afford dimethylcarbonate and
water
2329
SI online
Anionic Iron(III) Porphyrin Immobilized on/into Exfoliated
Macroporous Layered Double Hydroxides as Catalyst for
Oxidation Reactions
Shirley Nakagaki, Kelly A. D. F. Castro, Geani M. Ucoski,
Matilte Halma, Vanessa Prévot, Claude Forano and
Fernando Wypych
Graphical Abstract
This work reports the preparation of the solid catalyst based
immobilization of ironporphyrin on macroporous layered double
hydroxides (LDHs) prepared by the co-precipitation method, which
involved the use of polystyrene as template, oxides reconstruction, and
exfoliation. Application of the solid as catalysts in (Z)-cyclooctene and
cyclohexane oxidation will help to assess their catalytic activity
2339
Cobalt Catalyst Characterization for Methane Decomposition
and Carbon Nanotube Growth
Hugo A. Oliveira, Dante F. Franceschini and Fabio B. Passos
Graphical Abstract
In this paper, carbon nanotubes were produced by methane vapor
deposition on Co/γ-Al2O3 catalyst. The properties of the catalyst and
reaction conditions influenced carbon nanotube selectivity
ix
x
J. Braz. Chem. Soc.
2350
SI online
Can Green Dimethyl Carbonate Synthesis be More Effective?
A Catalyst Recycling Study Benefiting from Experimental
Kinetics and DFT Modeling
Stéphane Chambrey, Mahboubeh Poor Kalhor,
Henry Chermette and Danielle Ballivet-Tkatchenko
Graphical Abstract
DFT calculations coupled with experimental kinetics reveal recycling
active dibutyltin(IV) species correlates with the stability of polynuclear
species
2356
Nickel / Doped Ceria Solid Oxide Fuel Cell Anodes for Dry
Reforming of Methane
Renata O. da Fonseca, Andressa A. A. da Silva, Matheus R. M.
Signorelli, Raimundo C. Rabelo-Neto, Fábio B. Noronha,
Rita C. C. Simões and Lisiane V. Mattos
Graphical Abstract
Ni/CePr anode exhibited the lowest carbon formation on CO2 reforming
of methane due to its higher oxygen mobility
2364
Comparing Thermal-Cracking and Catalytic Hydrocracking
in the Presence of Rh and Ru Catalysts to Produce Liquid
Hydrocarbons from Vegetable Oils
Juliana P. Rodrigues, Marcos J. Jacinto, Henrique L. Oliveira,
Yuri H. O. Falcão, Paulo A. Z. Suarez and Liane M. Rossi
Graphical Abstract
The catalysed hydrocracking of soybean, castor and palm tree oils
by Rh and Ru nanoparticles leads to hydrocarbons suitable for use as
“renewable or green diesel”
2370
An Electrostatically-Anchored Rhodium(I) Catalyst for
the Hydroformylation and Tandem Hydroformylation/
Acetalization of Biorenewable Allyl Benzenes
Glenda A. Carvalho, Elena V. Gusevskaya and
Eduardo N. dos Santos
Graphical Abstract
A recyclable rhodium catalyst anchored in a commercial anion exchange
resin was prepared straightforwardly from readily available precursors.
The catalyst was used for the hydroformylation or the tandem sequence
hydroformylation/acetalyzation of eugenol and estragole
2378
SI online
Synthesis of 5-Hydroxymethylfurfural from Dehydration of
Fructose And Glucose Using Ionic Liquids
Fernanda C. de Melo, Roberto F. de Souza,
Paulo L. A. Coutinho and Michèle O. de Souza
Graphical Abstract
Synthesis of HMF from glucose or fructose using ionic liquid
Vol. 25, No. 12, 2014
2385
SI online
Aqueous Micelles as Catalytic Nanoreactors for
Dephosphorylation Reactions
Eduardo H. Wanderlind, Elisa S. Orth, Michelle Medeiros,
Deise M. P. O. Santos, Eduard Westphal, Hugo Gallardo,
Haidi D. Fiedler and Faruk Nome
Graphical Abstract
A novel hydrophobic nucleophile bearing two imidazole groups enhances
the cleavage of a model phosphate triester up to 1700-fold, and the
reactions are similarly promoted by both cationic and anionic aqueous
micelles
2392
SI online
Catalytic Oxidation of Aqueous Sulfide Promoted by Oxygen
Functionalities on the Surface of Activated Carbon Briquettes
Produced from Viticulture Wastes
Ana C. Deiana, Marianela Gimenez, Maria F. Sardella,
Karim Sapag, Ana L. S. Masseo, Ana P. C. Teixeira,
Maria H. Araujo and Rochel M. Lago
Graphical Abstract
In this work, activated carbon in form of briquettes, produced from
wastes of wine industry, were used in the catalytic oxidation of aqueous
sulfide contaminant. The preparation and characterization of the catalyst
and its efficiency in the oxidation of sulfide are discussed
2399
Activation of Methane on NiO Nanoparticles with Different
Morphologies
Ruth L. Martins and Martin Schmal
Graphical Abstract
Scanning electron microscopy images of NiO prepared by different
routes resulting in distinct morphologies: nanoflowers for NiO prepared
with ethylene glycol, less compacted nanoflowers for NiO prepared by
hydrothermal route, and bidimensional rods for NiO prepared using nickel
dimethylglyoxyne as precursor
2409SnSO4 as Catalyst for Simultaneous Transesterification and
Esterification of Acid Soybean Oil
Camila O. Pereira, Márcio F. Portilho, Cristiane A. Henriques
and Fatima M. Z. Zotin
Graphical Abstract
Biodiesel production from simultaneous transesterification and
esterification reactions of non-refined feedstocks, using SnSO4 as catalyst
2417
SI online
Photosensitised Degradation of Organic Dyes by Visible Light
Using Riboflavin Adsorbed on the Surface of TiO2 Nanotubes
Claudio W. Backes, Francine R. Scheffer, Marcelo B. Pereira,
Sérgio R. Teixeira and Daniel E. Weibel
Graphical Abstract
TiO2 nanotube arrays impregnated with riboflavin (vitamin B2) and
irradiated with only visible light (l = 400 nm) produce O2 gas in situ
allowing efficient degradation of several dyes
xi
xii
J. Braz. Chem. Soc.
2425Electronic vs. Steric Hindrance Effects in Amine Ligands to
Ru-Based Initiators for ROMP
Tiago B. Silva, Ricardo S. Camargo and Benedito S. Lima-Neto
SI online
Graphical Abstract
[RuCl2(PPh3)2(amine)x]-type complexes, with NH2Ph (1; x = 2), NH2Bz (2;
x = 2) and NHBuPh (3; x = 1), in the presence of ethyldiazoacetate (EDA),
were investigated for ring-opening metathesis polymerization (ROMP) of
cyclic olefins. The reactivity of the complexes according to the electronic
density and steric hindrance of the amines as ancillary ligands was
discussed. In the series, complex 3 is the most active at 25 °C for 5 min,
probably because there is more steric hindrance due to the number and
the bulkiness of the amine, even with a lower s-donor character
2433
Flash Pyrolysis of Oleic Acid as a Model Compound Adsorbed
on Supported Nickel Catalysts for Biofuel Production
Roger Fréty, Marilia R. Santos, Renan F. Sales, Antonio O. S.
Silva, Celmy B. M. Barbosa and Jose G. A. Pacheco
Graphical Abstract
Catalytic pyrolysis of oleic acid decreased oxygenated and increased
hydrocarbon products formation. NiO/alumina produced more aromatics
than NiO/silica
2444
SI online
Influence of Temperature and Time of Seed Aging on the
Properties of Beta Zeolite/MCM-41 Materials
Saulo T. F. Grecco, Ernesto A. Urquieta-González, Patrício
Reyes, Marcelo Oportus and Maria do Carmo Rangel
Graphical Abstract
The crystallinity of the zeolite and the ordering of the mesoporous phase
can be adjusted by the time of seed aging
2455Ni/La2O3-SiO2 Catalysts Applied to Glycerol Steam Reforming
Reaction: Effect of the Preparation Method and Reaction
Temperature
Vivian V. Thyssen and Elisabete M. Assaf
Graphical Abstract
Catalytic test of 10Ni30LaSi (I-sim): This catalyst showed the best results
for glycerol steam reforming under the test conditions, proving stable
and active throughout the reaction time
2466
SI online
Synthesis, Characterization and Ethylene Oligomerization
Studies of Chromium Complexes Bearing Imino-Furfural
Ligands
Ana H. D. P. S. Ulbrich, Jorge L. S. Milani, Paolo R. Livotto,
Jean-François Carpentier and Osvaldo L. Casagrande Jr.
Graphical Abstract
The chromium(III) complexes bearing imino-furfural ligands were
synthesized and tested in ethylene oligomerization reactions producing
oligomers in the range C4-C12+ with good selectivity for a-olefins