Claire Mégret

Exceptional Sensitivity of Metal−Aryl Bond Energies to <i>ortho</i>-Fluorine Substituents: Influence of the Metal, the Coordination Sphere, and the Spectator Ligands on M−C/H−C Bond Energy Correlations

Eric Clot, Claire Mégret, Odile Eisenstein et al. · Journal of the American Chemical Society · 2009 · 195 citations

Natural Sciences, Chemistry, Materials Science +17

Bond energy M–C/H–C correlations: dual theoretical and experimental approach to the sensitivity of M–C bond strength to substituentsElectronic supplementary information (ESI) available: methods of calculation; Fig. S1: Comparison of calculated and experimental C–H bond dissociation energies for organic molecules; Table S1, comparison of calculated and experimental CO-stretching frequencies; Table S2, total energies, BDE for Re–C and H–C; Table S3, NPA charges q(C) and q(aryl) for the organic fragments C6H6–nFn and the rhenium complexes; preparation and spectroscopic data for Re(η5-C5Me5)(CO)2(2,6-C6H3F2)H. See http://www.rsc.org/suppdata/cc/b2/b210036n/

Eric Clot, María Besora, Feliu Maseras et al. · Chemical Communications · 2003 · 102 citations · Full text

Natural Sciences, Chemistry, Computational Chemistry +10

Outer sphere anion participation can modify the mechanism for conformer interconversion in Pd pincer complexes

John R. Miecznikowski, Stephan Gründemann, Martin Albrecht et al. · Dalton Transactions · 2003 · 86 citations

Natural Sciences, Chemistry, Computational Chemistry +14

Defluorination of Perfluoropropene Using Cp*₂ZrH₂and Cp*₂ZrHF:  A Mechanism Investigation from a Joint Experimental−Theoretical Perspective

Eric Clot, Claire Mégret, Bradley M. Kraft et al. · Journal of the American Chemical Society · 2004 · 85 citations

Natural Sciences, Chemistry, Materials Science +12

Validation of the M−C/H−C Bond Enthalpy Relationship through Application of Density Functional Theory

Eric Clot, Claire Mégret, Odile Eisenstein et al. · Journal of the American Chemical Society · 2006 · 80 citations

Natural Sciences, Chemistry, Organic Chemistry +14