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

Clot, E., Besora, M., Maseras, F., Mégret, C., Eisenstein, O., Oelckers, B. and Perutz, R.N. (2003) Bond energy M-C/H-C correlations: dual theoretical and experimental approach to the sensitivity of M-C bond strength to substituents. Chemical Communications, 4. pp. 490-491. ISSN 1359-7345

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Abstract

DFT methods are used to quantify the relationship between M–C and H–C bond energies; for MLn = Re(5-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.

Item Type: Article
Institution: The University of York
Academic Units: The University of York > Chemistry (York)
Depositing User: York RAE Import
Date Deposited: 24 Jun 2009 14:48
Last Modified: 24 Jun 2009 14:48
Published Version: http://dx.doi.org/10.1039/b210036n
Status: Published
Publisher: Elsevier
Identification Number: 10.1039/b210036n
URI: http://eprints.whiterose.ac.uk/id/eprint/5855

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