Clot, E., Besora, M., Maseras, F. et al. (4 more authors) (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
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.
Metadata
Item Type: | Article |
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Authors/Creators: |
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Dates: |
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Institution: | The University of York |
Academic Units: | The University of York > Faculty of Sciences (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 |
Open Archives Initiative ID (OAI ID): | oai:eprints.whiterose.ac.uk:5855 |
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