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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Published Version: http://dx.doi.org/10.1039/b210036n
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 |
|---|---|
| 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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