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2022

The Insertion of EII and EIV Chlorides (E=Si, Ge) into the Si−Si Bond of Disilylene

Authors: Aliona G. Baradzenka, Sergei F. Vyboishchikov, Melanie Pilkington, Anton Dmitrienko, Georgii I. Nikonov

Chemistry – A European Journal, 2022, 28, 70

DOI: 10.1002/chem.202202799

Keywords: Computational chemistry, Organometallics, Reaction mechanisms

Effect of the pore architecture of Ziegler-Natta catalyst on its behavior in propylene/1-hexene copolymerization

Authors: Arash Shams, Mohammadreza Mehdizadeh, HamidReza Teimoury, Mehrsa Emami, Seyed Amin Mirmohammadi, Samahe Sadjadi, Eduard Bardají, Albert Poater, Naeimeh Bahri-Laleh

Journal of Industrial and Engineering Chemistry, 2022, 116, 359-370

DOI: 10.1016/j.jiec.2022.09.026

Keywords: Catalysis, Organometallics, Sustainable catalysis

A Versatile Palladium Synthon: [Pd(NHC)(PhC≡CPh)]**

Authors: Francis Bru, Mathieu Lesieur, Albert Poater, Alexandra M. Z. Slawin, Luigi Cavallo, Catherine S. J. Cazin

Chemistry – A European Journal, 2022, 28, 67

DOI: 10.1002/chem.202201917

Keywords: Catalysis, Computational chemistry, Density Functional Theory, Organometallics, Reaction mechanisms

An efficient initiator system containing AlCl3 and supported ionic-liquid for the synthesis of conventional grade polyisobutylene in mild conditions

Authors: Saleh Yousefi, Naeimeh Bahri-Laleh, Mehdi Nekoomanesh, Mehrsa Emami, Samahe Sadjadi, Seyed Amin Mirmohammadi, Michele Tomasini, Eduard Bardají, Albert Poater

Journal of Molecular Liquids, 2022, 367, 120381

DOI: 10.1016/j.molliq.2022.120381

Keywords: Catalysis, Computational chemistry, Organometallics, Predictive Chemistry, Sustainable catalysis

Unravelling Enzymatic Features in a Supramolecular Iridium Catalyst by Computational Calculations

Authors: Michele Tomasini, Lucia Caporaso, Jonathan Trouvé, Jordi Poater, Rafael Gramage‐Doria, Albert Poater

Chemistry – A European Journal, 2022, 28, 57

DOI: 10.1002/chem.202201970

Keywords: Catalysis, Organometallics, Sustainable catalysis

Lubricant hydrogenation over a functionalized clay‐based Pd catalyst: A combined computational and experimental study

Authors: Zahra Asadi, Samahe Sadjadi, Mehdi Nekoomanesh‐Haghighi, Sergio Posada‐Pérez, Miquel Solà, Naeimeh Bahri‐Laleh, Albert Poater

Applied Organometallic Chemistry, 2022, 36, 10

DOI: 10.1002/aoc.6850

Keywords: Chemical bonding, Computational chemistry, Organometallics, Reaction mechanisms, Supramolecular chemistry

Effect of Diamine Bridge on Reactivity of Tetradentate ONNO Nickel(II) Complexes

Authors: Kamila Pruszkowska, Olga A. Stasyuk, Anna Zep, Adam Krówczyński, Rafal R. Sicinski, Miquel Solà, Michał K. Cyrański

ChemPhysChem, 2022, 23, 2

DOI: 10.1002/cphc.202100741

Keywords: Catalysis, Chemical bonding, Excited states, Organometallics, Reaction mechanisms

Three-centre electron sharing indices (3c-ESIs) as a tool to differentiate among (an)agostic interactions and hydrogen bonds in transition metal complexes

Authors: Yago García-Rodeja, Ferran Feixas, Eduard Matito, Miquel Solà

Physical Chemistry Chemical Physics, 2022, 24, 48, 29333-29337

DOI: 10.1039/d2cp05221k

Keywords: Chemical bonding, Electron delocalization, Organometallics

Ni(i)–TPA stabilization by hydrogen bond formation on the second coordination sphere: a DFT characterization

Authors: Sergio Posada-Pérez, Silvia Escayola, Jordi Poater, Miquel Solà, Albert Poater

Dalton Transactions, 2022, 51, 33, 12585-12595

DOI: 10.1039/d2dt01355j

Keywords: Chemical bonding, Computational chemistry, Density Functional Theory, High-valent metal complexes, Organometallics

Hemilabile MIC^N ligands allow oxidant-free Au(i)/Au(iii) arylation-lactonization of γ-alkenoic acids

Authors: Pau Font, Hugo Valdés, Gregorio Guisado-Barrios, Xavi Ribas

Chemical Science, 2022, 13, 32, 9351-9360

DOI: 10.1039/d2sc01966c

Keywords: Catalysis, Cross-coupling reactions, High-valent metal complexes, Organometallics

Organometallic Ni(ii), Ni(iii), and Ni(iv) complexes relevant to carbon–carbon and carbon–oxygen bond formation reactions

Authors: C. Magallón, L. Griego, C. H. Hu, A. Company, X. Ribas, L. M. Mirica

Inorganic Chemistry Frontiers, 2022, 9, 5, 1016-1022

DOI: 10.1039/d1qi01486b

Keywords: High-valent metal complexes, Organometallics

2021

Mechanistic Aspects of the Palladium‐Catalyzed Suzuki‐Miyaura Cross‐Coupling Reaction

Authors: Massimo C. D'Alterio, Èric Casals‐Cruañas, Nikolaos V. Tzouras, Giovanni Talarico, Steven P. Nolan, Albert Poater

Chemistry – A European Journal, 2021, 27, 54, 13481-13493

DOI: 10.1002/chem.202101880

Keywords: Catalysis, Computational chemistry, Cross-coupling reactions, Organometallics, Reaction mechanisms

Synthesis of Fused Dihydroazepine Derivatives of Fullerenes by a Rh‐Catalyzed Cascade Process

Authors: Albert Artigas, Cristina Castanyer, Nil Roig, Agustí Lledó, Miquel Solà, Anna Pla‐Quintana, Anna Roglans

Advanced Synthesis & Catalysis, 2021, 363, 15, 3835-3844

DOI: 10.1002/adsc.202100644

Keywords: Cycloaddition, Fullerenes, Organometallics, Reaction mechanisms

Ruthenium‐Catalyzed Three‐Component Alkylation: A Tandem Approach to the Synthesis of Nonsymmetric N,N‐Dialkyl Acyl Hydrazides with Alcohols

Authors: Léo Bettoni, Nicolas Joly, Jean‐François Lohier, Sylvain Gaillard, Albert Poater, Jean‐Luc Renaud

Advanced Synthesis & Catalysis, 2021, 363, 16, 4009-4017

DOI: 10.1002/adsc.202100554

Keywords: Catalysis, Chemical bonding, Computational chemistry, Organometallics, Reaction mechanisms

Fundamental Basis for Implementing Oxidant‐Free Au(I)/Au(III) Catalysis

Authors: Pau Font, Xavi Ribas

European Journal of Inorganic Chemistry, 2021, 2021, 26, 2556-2569

DOI: 10.1002/ejic.202100301

Keywords: Catalysis, Cross-coupling reactions, High-valent metal complexes, Organometallics

Towards Dual-Metal Catalyzed Hydroalkoxylation of Alkynes

Authors: Oscar González-Belman, Artur Brotons-Rufes, Michele Tomasini, Laura Falivene, Lucia Caporaso, Jose Jiménez-Halla, Albert Poater

Catalysts, 2021, 11, 6, 704

DOI: 10.3390/catal11060704

Keywords: Catalysis, Chemical bonding, Computational chemistry, Organometallics, Reaction mechanisms

Experimental and DFT study on titanium-based half-sandwich metallocene catalysts and their application for production of 1-hexene from ethylene

Authors: Sajjad Gharajedaghi, Zahra Mohamadnia, Ebrahim Ahmadi, Mohamadreza Marefat, Gerard Pareras, Sílvia Simon, Albert Poater, Naeimeh Bahri-Laleh

Molecular Catalysis, 2021, 509, 111636

DOI: 10.1016/j.mcat.2021.111636

Keywords: Catalysis, Computational chemistry, Cross-coupling reactions, Organometallics, Reaction mechanisms

Iron-catalyzed chemoselective hydride transfer reactions

Authors: Sébastien Coufourier, Daouda Ndiaye, Quentin Gaignard Gaillard, Léo Bettoni, Nicolas Joly, Mbaye Diagne Mbaye, Albert Poater, Sylvain Gaillard, Jean-Luc Renaud

Tetrahedron, 2021, 90, 132187

DOI: 10.1016/j.tet.2021.132187

Keywords: Catalysis, Organometallics, Reaction mechanisms, Sustainable catalysis

1‐Decene oligomerization by new complexes bearing diamine‐diphenolates ligands: Effect of ligand structure

Authors: Ahad Hanifpour, Naeimeh Bahri‐Laleh, Mehdi Nekoomanesh‐Haghighi, Albert Poater

Applied Organometallic Chemistry, 2021, 35, 6

DOI: 10.1002/aoc.6227

Keywords: Catalysis, Cross-coupling reactions, Density Functional Theory, Organometallics, Reaction mechanisms

Phosphine-Free Ruthenium Complex-Catalyzed Synthesis of Mono- or Dialkylated Acyl Hydrazides via the Borrowing Hydrogen Strategy

Authors: Nicolas Joly, Léo Bettoni, Sylvain Gaillard, Albert Poater, Jean-Luc Renaud

The Journal of Organic Chemistry, 2021, 86, 9, 6813-6825

DOI: 10.1021/acs.joc.1c00654

Keywords: Catalysis, Computational chemistry, Organometallics, Reaction mechanisms, Sustainable catalysis

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