Bond energy M–C/H–C correlations: dual theoretical and experimental approach to the sensitivity of M–C bond strength to substituents
Literature Information
Publication Date
2003-01-24
DOI
10.1039/B210036N
Impact Factor
6.222
Authors
Eric Clot, Maria Besora, Feliu Maseras, Claire Mégret, Odile Eisenstein, Beatriz Oelckers, Robin N. Perutz
View Original
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.
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