Jean‐Claude Barthelat

Centre National de la Recherche Scientifique — France

Chemistry · Physical Sciences

26h-index2.3kcitations44works0.02yr avg
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Research Topics

Organometallic Complex Synthesis and Catalysis(18), Advanced Chemical Physics Studies(12), Synthesis and characterization of novel inorganic/organometallic compounds(9), Organoboron and organosilicon chemistry(8), Asymmetric Hydrogenation and Catalysis(6)

Publications44 total

Versatile Coordination of 2-Pyridinetetramethyldisilazane at Ruthenium: Ru(II) vs Ru(IV) As Evidenced by NMR, X-ray, Neutron, and DFT Studies
Journal of the American Chemical Society·2009· 30 cited
Revisiting the nature of the ZnO ground state: Influence of spin–orbit coupling
Chemical Physics Letters·2008· 9 cited
Quantum chemical investigations of intramolecular isomerization in RuH2(CO)2(PMe3)2
Journal of Molecular Structure THEOCHEM·2008· 7 cited
Theoretical Study of Specific Hydrogen-Bonding Effects on the Bridging P−OR Bond Strength of Phosphate Monoester Dianions
The Journal of Physical Chemistry B·2008· 9 cited
Theoretical Evaluation of the Substrate‐Assisted Catalysis Mechanism for the Hydrolysis of Phosphate Monoester Dianions
Chemistry - A European Journal·2007· 34 cited
Synthesis, structure and coordination of the ambiphilic ligand (2-picolyl)BCy2
Dalton Transactions·2007· 39 cited
Agostic Si–H bond coordination assists C–H bond activation at ruthenium in bis(phosphinobenzylsilane) complexes
Chemical Communications·2007· 37 cited
Density functional calculations of the formation and migration enthalpies of monovacancies in Ni: Comparison of local and nonlocal approaches
Physical Review B·2006· 51 citedOpen Access
Theoretical Study of the Metal–Metal Interaction in Dipalladium(I) Complexes
Theoretical Chemistry Accounts·2006· 9 cited
Synthesis and Theoretical Study of a Series of Dipalladium(I) Complexes Containing the Pd<sub>2</sub>(μ-CO)<sub>2</sub> Core
Inorganic Chemistry·2006· 10 citedOpen Access
First-principles calculations of the vacancy formation energy in nickel
Open Archive Toulouse Archive Ouverte (University of Toulouse)·2006· 1 cited
Theoretical Studies of the Hydroxide-Catalyzed P−O Cleavage Reactions of Neutral Phosphate Triesters and Diesters in Aqueous Solution:  Examination of the Changes Induced by H/Me Substitution
The Journal of Physical Chemistry B·2005· 53 cited
Structure and Bonding in a Disilazane Ruthenium Complex. Catalytic Selective Deuteration of Disilazane
Organometallics·2005· 46 cited
Coordination Modes of Boranes in Polyhydride Ruthenium Complexes:  σ-Borane versus Dihydridoborate
Organometallics·2005· 99 cited
Aromaticity or non aromaticity in germanazenes? Theoretical studies on germanazenes, the N-cyano analogs and their carbodiimide isomers
Journal of Organometallic Chemistry·2004· 8 citedOpen Access
Catalytic Isomerization of Cyanoolefins Involved in the Adiponitrile Process. C−CN Bond Cleavage and Structure of the Nickel π-Allyl Cyanide Complex Ni(η<sup>3</sup>-1-Me-C<sub>3</sub>H<sub>4</sub>)(CN)(dppb)
Organometallics·2004· 56 cited
9-BBN activation. Synthesis, crystal structure and theoretical characterization of the ruthenium complex Ru[(μ-H)2BC8H14]2(PCy3)
Journal of Organometallic Chemistry·2003· 30 cited
A density functional theory study of dinitrogen bonding in ruthenium complexes
Journal of Organometallic Chemistry·2003· 13 cited
Redistribution at silicon by ruthenium complexes. Bonding mode of the bridging silanes in Ru<sub>2</sub>H<sub>4</sub>(μ-η<sup>2</sup>:η<sup>2</sup>:η<sup>2</sup>:η<sup>2</sup>-SiH<sub>4</sub>)(PCy<sub>3</sub>)<sub>4</sub>and Ru<sub>2</sub>H<sub>2</sub>(μ-η<sup>2</sup>:η<sup>2</sup>-H<sub>2</sub>Si(OMe)<sub>2</sub>)<sub>3</sub>(PCy<sub>3</sub>)<sub>2</sub>
Dalton Transactions·2003· 30 cited
A DFT study of germane activation in ruthenium complexes. σ-coordination versus oxidative addition
New Journal of Chemistry·2003· 9 cited
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Frequent Co-authors

Sylviane Sabo‐Etienne(18), Bruno Chaudret(13), Khansaa Hussein(12), B. Donnadieu(8), Bahoueddine Tangour(7), Jean‐Pierre Daudey(6), Alain Vigroux(5), Mary Grellier(5), Laure Vendier(4), Venancio Rodrı́guez(4), Hassna Abou El Makarim(4), Tahra Ayed(4), Ridha Ben Said(4), Philippe Durand(3), Colin J. Marsden(3), Virginia Montiel‐Palma(3), Isabelle Atheaux(3), Romuald Poteau(3), Fabienne Alary(3), Stefan Ulrich(3)