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

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

Research output: Contribution to journalArticleResearchpeer-review

85 Citations (Scopus)

Abstract

DFT methods are used to quantify the relationship between M-C and H-C bond energies; for MLn= Re(η5-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.
Original languageEnglish
Pages (from-to)490-491
JournalChemical Communications
Volume9
Issue number4
Publication statusPublished - 21 Feb 2003

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