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2133 Catalysis in BrazilMartin Schmal

Editorial

Contents

Vol. 25, No. 12, December, 2014

ISSN 0103-5053JBCSJournal of the Brazilian Chemical Society

Special Issue Catalysis.

J. Braz. Chem. Soc.vi

Communication2151 Friedel-Crafts Alkylation of Toluene as a Parallel Reaction

in Propylene Dimerization Catalyzed by Nickel b-Diimine Complex/EASC in Homogeneous PhaseIsabel Vicente, Katia Bernardo-Gusmão, Michèle O. de Souza and Roberto F. de Souza

Graphical AbstractTwo competing reactions depending on the concentration of co-catalyst and Ni complex: propylene oligomerization or Friedel-Crafts alkylation

with toluene (solvent)

Reviews2157 Homogeneous Catalytic Dehydrogenation of Formic Acid:

Progress Towards a Hydrogen-Based Economy Gábor Laurenczy and Paul J. Dyson

Graphical AbstractHydrogen/energy storage in the formic acid/carbon dioxide system

2164 Metallocene Supported on Inorganic Solid Supports: an Unfinished HistoryAline C. dos Ouros, Michèle O. de Souza and Heloise O. Pastore

Graphical AbstractNanocomposite 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

Account2140 Ionic Liquids and Catalysis

Michèle O. de Souza

Graphical AbstractThough electrochemists first used ionic liquids, the catalysis area

pioneered their applications

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2137 Proposal of a Standard Unit for Turnover Frequencies: HzJosé R. Gregório, Bauer C. Ferrera, Rodrigo dos S. Fuscaldo and Roberto F. de Souza

Letter

viiVol. 25, No. 12, 2014

Articles

2186 Recent Progress in the Use of Pd-Catalyzed C-C Cross-Coupling Reactions in the Synthesis of Pharmaceutical CompoundsAndré F. P. Biajoli, Cristiane S. Schwalm, Jones Limberger, Thiago S. Claudino and Adriano L. Monteiro

Graphical AbstractThis review is intended to give a picture of the applications of Pd-

catalyzed 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-StreamsMichele Aresta and Angela Dibenedetto

Graphical AbstractThe 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 BiorefineriesJean M. R. Gallo, José M. C. Bueno and Ulf Schuchardt

Graphical AbstractIn this critical review, it is discussed the development of heterogeneous

catalysts for the conversion of ethanol into commodity chemicals

2244 Ethylene Polymerization by 2-Methyl-8-(benzimidazol)quinolyliron(II) Pre-Catalyst: a DFT Understanding its Chain Propagation and TransferWenhong Yang, Toshiaki Taniike, Minoru Terano, Yan Chen and Wen-Hua Sun

Graphical AbstractThe 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 CatalystAline 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 AbstractA system constituted by a fluorinated ionic liquid plus ZnBr2 is presented

as a new approach to perform effective CO2 capture and conversion

J. Braz. Chem. Soc.viii

2258 New Isopropylmaltol - Ti Synthesis and its Use as a Catalyst for Olefin PolymerizationGrasiela Gheno, Nara R. S. Basso, Marco A. Ceschi, Jessé S. Costa, Paolo R. Livotto and Griselda B. Galland

Graphical AbstractNovel synthetic route of isopropylmaltol from furfural in five steps and

complexation with TiCl 4 giving a new post-metallocene catalyst. The novel complex was active in homogeneous ethylene polymerization,

giving high density polyethylene with high molecular weight

2266 Unsaturated Renewable Oil Transformation into Novel Biofuel Compositions via an Olefin Metathesis-Transesterification-Hydrogenation SequencePriscilla S. Lima, Leonildo A. Ferreira, Luiza H. Freitas, Martin W. Rheinheimer, Yuri C. A. Sokolovicz and Henri S. Schrekker

Graphical AbstractAn unsaturated vegetable oil was used as model substrate for the

preparation of biofuels via an olefin metathesis-transesterification-hydrogenation sequence

2272 Synthesis of n-Butylamine from Butyronitrile on Ni/SiO2: Effect of SolventDarío J. Segobia, Andrés F. Trasarti and Carlos R. Apesteguía

Graphical AbstractNi/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 Solid, Solution and Gas Phase Interactions of an Imidazolium-Based Task-Specific Ionic Liquid Derived from Natural Kojic AcidBrenno 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 AbstractThe supramolecular interactions and organizational features of a task-

specific 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 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 PolymerizationCláudia A. Figueira, Alejandro F. G. Ribeiro, Clara S. B. Gomes, Anabela C. Fernandes, Linda H. Doerrer and Pedro T. Gomes

Graphical AbstractThe complex [Ni(h5-C5H5)(mesityl-BIAN)]PF6 catalyses the polymerization

of ethylene when activated by methylaluminoxane (MAO)

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ixVol. 25, No. 12, 2014

2304 Cadmium and Tin Magnetic Nanocatalysts Useful for Biodiesel ProductionMelquizedeque B. Alves, Fernando C. M. Medeiros, Marcelo H. Sousa, Joel C. Rubim and Paulo A. Z. Suarez

Graphical AbstractMagnetic mixed iron/tin oxide nanoparticles were used as catalysts in

relevant reactions for biodiesel production technologies

2314 Iridium Oxidation States in Catalytic Hydrogenation IntermediatesJaneth Navarro, Marta Martín and Eduardo Sola

Graphical AbstractThe 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) AlkoxidesRenata C. de Souto, Nilton Rosenbach Jr. and Claudio J. A. Mota

Graphical AbstractCalculations on the catalytic activity of different R2Sn(OCH3)3 species on

the reaction between CO2 and methanol to afford dimethylcarbonate and water

2329 Anionic Iron(III) Porphyrin Immobilized on/into Exfoliated Macroporous Layered Double Hydroxides as Catalyst for Oxidation ReactionsShirley Nakagaki, Kelly A. D. F. Castro, Geani M. Ucoski, Matilte Halma, Vanessa Prévot, Claude Forano and Fernando Wypych

Graphical AbstractThis 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 GrowthHugo A. Oliveira, Dante F. Franceschini and Fabio B. Passos

Graphical AbstractIn 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

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J. Braz. Chem. Soc.x

2350 Can Green Dimethyl Carbonate Synthesis be More Effective? A Catalyst Recycling Study Benefiting from Experimental Kinetics and DFT ModelingStéphane Chambrey, Mahboubeh Poor Kalhor, Henry Chermette and Danielle Ballivet-Tkatchenko

Graphical AbstractDFT 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 AbstractNi/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 OilsJuliana P. Rodrigues, Marcos J. Jacinto, Henrique L. Oliveira, Yuri H. O. Falcão, Paulo A. Z. Suarez and Liane M. Rossi

Graphical AbstractThe 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 BenzenesGlenda A. Carvalho, Elena V. Gusevskaya and Eduardo N. dos Santos

Graphical AbstractA 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 Synthesis of 5-Hydroxymethylfurfural from Dehydration of Fructose And Glucose Using Ionic LiquidsFernanda C. de Melo, Roberto F. de Souza, Paulo L. A. Coutinho and Michèle O. de Souza

Graphical AbstractSynthesis of HMF from glucose or fructose using ionic liquid

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2385 Aqueous Micelles as Catalytic Nanoreactors for Dephosphorylation ReactionsEduardo H. Wanderlind, Elisa S. Orth, Michelle Medeiros, Deise M. P. O. Santos, Eduard Westphal, Hugo Gallardo, Haidi D. Fiedler and Faruk Nome

Graphical AbstractA 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 Catalytic Oxidation of Aqueous Sulfide Promoted by Oxygen Functionalities on the Surface of Activated Carbon Briquettes Produced from Viticulture WastesAna 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 AbstractIn 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 MorphologiesRuth L. Martins and Martin Schmal

Graphical AbstractScanning 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

2409 SnSO4 as Catalyst for Simultaneous Transesterification and Esterification of Acid Soybean OilCamila O. Pereira, Márcio F. Portilho, Cristiane A. Henriques and Fatima M. Z. Zotin

Graphical AbstractBiodiesel production from simultaneous transesterification and

esterification reactions of non-refined feedstocks, using SnSO4 as catalyst

2417 Photosensitised Degradation of Organic Dyes by Visible Light Using Riboflavin Adsorbed on the Surface of TiO2 NanotubesClaudio W. Backes, Francine R. Scheffer, Marcelo B. Pereira, Sérgio R. Teixeira and Daniel E. Weibel

Graphical AbstractTiO2 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

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J. Braz. Chem. Soc.xii

2425 Electronic vs. Steric Hindrance Effects in Amine Ligands to Ru-Based Initiators for ROMPTiago B. Silva, Ricardo S. Camargo and Benedito S. Lima-Neto

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 ProductionRoger Fréty, Marilia R. Santos, Renan F. Sales, Antonio O. S. Silva, Celmy B. M. Barbosa and Jose G. A. Pacheco

Graphical AbstractCatalytic pyrolysis of oleic acid decreased oxygenated and increased

hydrocarbon products formation. NiO/alumina produced more aromatics than NiO/silica

2444 Influence of Temperature and Time of Seed Aging on the Properties of Beta Zeolite/MCM-41 MaterialsSaulo T. F. Grecco, Ernesto A. Urquieta-González, Patrício Reyes, Marcelo Oportus and Maria do Carmo Rangel

Graphical AbstractThe crystallinity of the zeolite and the ordering of the mesoporous phase

can be adjusted by the time of seed aging

2455 Ni/La2O3-SiO2 Catalysts Applied to Glycerol Steam Reforming Reaction: Effect of the Preparation Method and Reaction TemperatureVivian V. Thyssen and Elisabete M. Assaf

Graphical AbstractCatalytic 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 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 AbstractThe 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

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