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
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.
|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|