Publications

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Results: 73

Sébastien Coufourier, Quentin Gaignard Gaillard, Jean-François Lohier, Albert Poater, Sylvain Gaillard, Jean-Luc Renaud
Hydrogenation of CO₂ , Hydrogenocarbonate, and Carbonate to Formate in Water using Phosphine Free Bifunctional Iron Complexes
ACS Catal., 2020, 10, 2108-2116
DOI: 10.1021/acscatal.9b04340
Keywords: Catalysis, Computational chemistry, Organometallics, Reaction mechanisms, Sustainable Catalysis

Noy B. Nechmad, Ravindra Phatake, Elisa Ivry, Albert Poater, N. Gabriel Lemcoff
Unprecedented Selectivity of Ruthenium Iodide Benzylidenes in Olefin Metathesis Reactions
Angew. Chem. Int. Ed., 2020, 59, 3539-3543
DOI: 10.1002/anie.201914667
Keywords: Catalysis, Computational chemistry, Cross-coupling reactions, Organometallics, Reaction mechanisms

Mehrdad Fallah, Naeimeh Bahri-Laleh, Khadijeh Didehban, Albert Poater
Interaction of common cocatalysts in Ziegler–Natta‐catalyzed olefin polymerization
Appl Organometal Chem, 2020, [], e5333
DOI: 10.1002/aoc.5333
Keywords: Catalysis, Chemical bonding, Computational chemistry, Organometallics, Reaction mechanisms

Massimo Christian D’Alterio, Yu-Chao Yuan, Christian Bruneau, Giovanni Talarico, Rafael Gramage-Doria and Albert Poater
Base-controlled, product switch in the ruthenium-catalyzed protodecarbonylation of phthalimides: a mechanistic study
Catal. Sci. Technol., 2020, 10, 180-186
DOI: 10.1039/C9CY02047K
Keywords: Catalysis, Computational chemistry, Organometallics, Reaction mechanisms, Sustainable Catalysis

Guangchen Li, Tongliang Zhou, Albert Poater, Luigi Cavallo, Steven P. Nolan, Michal Szostak
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
Catal. Sci. Technol., 2020, 10, 710-716
DOI: 10.1039/C9CY02080B
Keywords: Catalysis, Computational chemistry, Cross-coupling reactions, Organometallics, Reaction mechanisms

Eva Pump, Albert Poater, Naeimeh Bahri-Laleh, Raffaele Credendino, Luigi Serra, Vittorio Scarano, Luigi Cavallo
Regio, stereo and chemoselectivity of 2nd generation Grubbs ruthenium-catalyzed olefin metathesis
Catalysis Today, 2020, [], ASAP-
DOI: 10.1016/j.cattod.2020.04.071
Keywords: Catalysis, Organometallics, Predictive Chemistry, Reaction mechanisms, Sustainable Catalysis

Walid Al Maksoud, Aya Saidi, ManojaK. Samantaray, Edy Abou-Hamad, Albert Poater, Samy Ould-Chikh, Xianrong Guo, Erjia Guan, Tao Ma, Bruce C. Gates, Jean-Marie Basset
Docking of tetra-methyl zirconium to the surface of silica: a well-defined pre-catalyst for conversion of CO₂ to cyclic carbonates
Chem. Commun., 2020, 56, 3528-3531

DOI: 10.1039/C9CC07383C
Keywords: Catalysis, Computational chemistry, Organometallics, Reaction mechanisms, Sustainable Catalysis

Dandan Chen, Dariusz Szczepanik, Jun Zhu, Miquel Solà
All-metal Baird aromaticity
Chem. Commun., 2020, [], ASAP-
DOI: 10.1039/D0CC05586G
Keywords: Aromaticity, Chemical bonding, Excited states, Organometallics

Anna Roglans, Anna Pla-Quintana, Miquel Solà
Mechanistic Studies of Transition-Metal-Catalyzed [2 + 2 + 2] Cycloaddition Reactions
Chem. Rev., 2020, [], ASAP-
DOI: 10.1021/acs.chemrev.0c00062
Keywords: Catalysis, Computational chemistry, Organometallics, Reaction mechanisms

Melody Chu, Oriol Planas, Anna Company, Xavi Ribas, Alex Hamilton, Christopher J. Whiteoak
Unravelling the Mechanism of Cobalt-Catalysed Remote C-H Nitration of 8-Aminoquinolinamides and Expansion of Substrate Scope Towards 1-naphthylpicolinamide
Chem. Sci., 2020, 11, 534-542
DOI: 10.1039/C9SC05076K
Keywords: Catalysis, Computational chemistry, Cross-coupling reactions, Organometallics, Reaction mechanisms