Literature DB >> 12638964

Bond energy M-C/H-C correlations: dual theoretical and experimental approach to the sensitivity of M-C bond strength to substituents.

Eric Clot1, Maria Besora, Feliu Maseras, Claire Mégret, Odile Eisenstein, Beatriz Oelckers, Robin N Perutz.   

Abstract

DFT methods are used to quantify the relationship between M-C and H-C bond energies; for MLn = Re(eta5-C5H5)(CO)2H and fluorinated aryl ligands, theoretical and experimental investigations of ortho-fluorine substitution indicate a much larger increase in the M-C than in the H-C bond energy, so stabilising C-H activation products.

Entities:  

Year:  2003        PMID： 12638964     DOI： 10.1039/b210036n

Source DB:  PubMed          Journal:  Chem Commun (Camb)        ISSN： 1359-7345            Impact factor:   6.222


  5 in total

1.  Cobalt-Catalyzed Borylation of Fluorinated Arenes: Thermodynamic Control of C(sp2)-H Oxidative Addition Results in ortho-to-Fluorine Selectivity.

Authors:  Tyler P Pabst; Jennifer V Obligacion; Étienne Rochette; Iraklis Pappas; Paul J Chirik
Journal:  J Am Chem Soc       Date:  2019-09-16       Impact factor: 15.419

2.  Mechanism, reactivity, and selectivity of the iridium-catalyzed C(sp3)-H borylation of chlorosilanes.

Authors:  Genping Huang; Marcin Kalek; Rong-Zhen Liao; Fahmi Himo
Journal:  Chem Sci       Date:  2014-12-04       Impact factor: 9.825

3.  Facile H/D Exchange at (Hetero)Aromatic Hydrocarbons Catalyzed by a Stable Trans-Dihydride N-Heterocyclic Carbene (NHC) Iron Complex.

Authors:  Subhash Garhwal; Alexander Kaushansky; Natalia Fridman; Linda J W Shimon; Graham de Ruiter
Journal:  J Am Chem Soc       Date:  2020-09-22       Impact factor: 15.419

4.  Coligand role in the NHC nickel catalyzed C-F bond activation: investigations on the insertion of bis(NHC) nickel into the C-F bond of hexafluorobenzene.

Authors:  Maximilian W Kuntze-Fechner; Hendrik Verplancke; Lukas Tendera; Martin Diefenbach; Ivo Krummenacher; Holger Braunschweig; Todd B Marder; Max C Holthausen; Udo Radius
Journal:  Chem Sci       Date:  2020-10-06       Impact factor: 9.825

5.  Electrochemical C-H bond activation via cationic iridium hydride pincer complexes.

Authors:  Brian M Lindley; Andrew G Walden; Ann Marie Brasacchio; Andrea Casuras; Nicholas Lease; Chun-Hsing Chen; Alan S Goldman; Alexander J M Miller
Journal:  Chem Sci       Date:  2019-08-20       Impact factor: 9.825
  5 in total

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