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2020

Hydrogenation of CO2, Hydrogenocarbonate, and Carbonate to Formate in Water using Phosphine Free Bifunctional Iron Complexes

Authors: Sébastien Coufourier, Quentin Gaignard Gaillard, Jean-François Lohier, Albert Poater, Sylvain Gaillard, Jean-Luc Renaud

ACS Catalysis, 2020, 10, 3, 2108-2116

DOI: 10.1021/acscatal.9b04340

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

Unprecedented Selectivity of Ruthenium Iodide Benzylidenes in Olefin Metathesis Reactions

Authors: Noy B. Nechmad, Ravindra Phatake, Elisa Ivry, Albert Poater, N. Gabriel Lemcoff

Angewandte Chemie International Edition, 2020, 59, 9, 3539-3543

DOI: 10.1002/anie.201914667

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

Interaction of common cocatalysts in Ziegler–Natta‐catalyzed olefin polymerization

Authors: Mehrdad Fallah, Naeimeh Bahri‐Laleh, Khadijeh Didehban, Albert Poater

Applied Organometallic Chemistry, 2020, 34, 2

DOI: 10.1002/aoc.5333

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

Metathesis of Classical and Functionalized Olefins Catalyzed by Silica‐Supported Single‐Site Well‐Defined W and Mo Pre‐catalysts

Authors: Aya Saidi, Manoja K. Samantaray, Albert Poater, Mykyta Tretiakov, Luigi Cavallo, Jean‐Marie Basset

ChemCatChem, 2020, 12, 23, 6067-6075

DOI: 10.1002/cctc.202000897

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

Iron‐Catalyzed Intermolecular Functionalization of Non‐Activated Aliphatic C−H Bonds via Carbene Transfer

Authors: Mònica Rodríguez, Gemma Font, Joel Nadal‐Moradell, Alberto Hernán‐Gómez, Miquel Costas

Advanced Synthesis & Catalysis, 2020, 362, 22, 5116-5123

DOI: 10.1002/adsc.202000817

Keywords: Catalysis, Organometallics, Reaction mechanisms, Sustainable catalysis

Bis-Phenoxo-CuII2 Complexes: Formal Aromatic Hydroxylation via Aryl-CuIII Intermediate Species

Authors: Xavi Ribas, Raül Xifra, Xavier Fontrodona

Molecules, 2020, 25, 20, 4595

DOI: 10.3390/molecules25204595

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

Allyl Monitorization of the Regioselective Pd-Catalyzed Annulation of Alkylnyl Aryl Ethers Leading to Bismethylenechromanes

Authors: Martí Gimferrer, Massimo Christian D’Alterio, Giovanni Talarico, Yasunori Minami, Tamejiro Hiyama, Albert Poater

The Journal of Organic Chemistry, 2020, 85, 19, 12262-12269

DOI: 10.1021/acs.joc.0c01503

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

Understanding the performance of a bisphosphonate Ru water oxidation catalyst

Authors: Jesús A. Luque-Urrutia, Jayneil M. Kamdar, Douglas B. Grotjahn, Miquel Solà, Albert Poater

Dalton Transactions, 2020, 49, 40, 14052-14060

DOI: 10.1039/d0dt02253e

Keywords: Catalysis, Density Functional Theory, Organometallics, Reaction mechanisms, Sustainable catalysis

All-metal Baird aromaticity

Authors: Dandan Chen, Dariusz W. Szczepanik, Jun Zhu, Miquel Solà

Chemical Communications, 2020, 56, 83, 12522-12525

DOI: 10.1039/d0cc05586g

Keywords: Aromaticity, Chemical bonding, Excited states, Organometallics

Unravelling the mechanism of cobalt-catalysed remote C–H nitration of 8-aminoquinolinamides and expansion of substrate scope towards 1-naphthylpicolinamide

Authors: Melody Chu, Oriol Planas, Anna Company, Xavi Ribas, Alex Hamilton, Christopher J. Whiteoak

Chemical Science, 2020, 11, 2, 534-542

DOI: 10.1039/c9sc05076k

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

Coordinative chain transfer polymerization of 1-decene in the presence of a Ti-based diamine bis(phenolate) catalyst: a sustainable approach to produce low viscosity PAOs

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

Green Chemistry, 2020, 22, 14, 4617-4626

DOI: 10.1039/d0gc00439a

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

Docking of tetra-methyl zirconium to the surface of silica: a well-defined pre-catalyst for conversion of CO2 to cyclic carbonates

Authors: Walid Al Maksoud, Aya Saidi, Manoja K. Samantaray, Edy Abou-Hamad, Albert Poater, Samy Ould-Chikh, Xianrong Guo, Erjia Guan, Tao Ma, Bruce C. Gates, Jean-Marie Basset

Chemical Communications, 2020, 56, 24, 3528-3531

DOI: 10.1039/c9cc07383c

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

Buchwald–Hartwig cross-coupling of amides (transamidation) by selective N–C(O) cleavage mediated by air- and moisture-stable [Pd(NHC)(allyl)Cl] precatalysts: catalyst evaluation and mechanism

Authors: Guangchen Li, Tongliang Zhou, Albert Poater, Luigi Cavallo, Steven P. Nolan, Michal Szostak

Catalysis Science & Technology, 2020, 10, 3, 710-716

DOI: 10.1039/c9cy02080b

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

Base-controlled product switch in the ruthenium-catalyzed protodecarbonylation of phthalimides: a mechanistic study

Authors: Massimo Christian D'Alterio, Yu-Chao Yuan, Christian Bruneau, Giovanni Talarico, Rafael Gramage-Doria, Albert Poater

Catalysis Science & Technology, 2020, 10, 1, 180-186

DOI: 10.1039/c9cy02047k

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

2019

A Rh-Catalyzed Cycloisomerization/Diels–Alder Cascade Reaction of 1,5-Bisallenes for the Synthesis of Polycyclic Heterocycles

Authors: Albert Artigas, Jordi Vila, Agustí Lledó, Miquel Solà, Anna Pla-Quintana, Anna Roglans

Organic Letters, 2019, 21, 17, 6608-6613

DOI: 10.1021/acs.orglett.9b02032

Keywords: Catalysis, Cycloaddition, Density Functional Theory, Organometallics, Reaction mechanisms

Electrophilic Iron Catalyst Paired with a Lithium Cation Enables Selective Functionalization of Non‐Activated Aliphatic C−H Bonds via Metallocarbene Intermediates

Authors: Alberto Hernán‐Gómez, Mònica Rodríguez, Teodor Parella, Miquel Costas

Angewandte Chemie International Edition, 2019, 58, 39, 13904-13911

DOI: 10.1002/anie.201905986

Keywords: Catalysis, Organometallics

Examining the Factors That Govern the Regioselectivity in Rhodium-Catalyzed Alkyne Cyclotrimerization

Authors: Òscar Torres, Martí Fernàndez, Àlex Díaz-Jiménez, Anna Pla-Quintana, Anna Roglans, Miquel Solà

Organometallics, 2019, 38, 14, 2853-2862

DOI: 10.1021/acs.organomet.9b00347

Keywords: Catalysis, Cycloaddition, Density Functional Theory, Organometallics, Reaction mechanisms

Room-Temperature Chemoselective Reductive Alkylation of Amines Catalyzed by a Well-Defined Iron(II) Complex Using Hydrogen

Authors: Alexis Lator, Quentin Gaignard Gaillard, Delphine S. Mérel, Jean-François Lohier, Sylvain Gaillard, Albert Poater, Jean-Luc Renaud

The Journal of Organic Chemistry, 2019, 84, 11, 6813-6829

DOI: 10.1021/acs.joc.9b00581

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

Study of the effect of the ligand structure on the catalytic activity of Pd@ ligand decorated halloysite: Combination of experimental and computational studies

Authors: Sevda Dehghani, Samahe Sadjadi, Naeimeh Bahri‐Laleh, Mehdi Nekoomanesh‐Haghighi, Albert Poater

Applied Organometallic Chemistry, 2019, 33, 5

DOI: 10.1002/aoc.4891

Keywords: Catalysis, Computational chemistry, Organometallics, Supramolecular chemistry, Sustainable catalysis

Axial Ligand Effects of Ru‐BDA Complexes in the O–O Bond Formation via the I2M Bimolecular Mechanism in Water Oxidation Catalysis

Authors: Craig J. Richmond, Sílvia Escayola, Albert Poater

European Journal of Inorganic Chemistry, 2019, 2019, 15, 2101-2108

DOI: 10.1002/ejic.201801450

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

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