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.
Original language | English |
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Pages (from-to) | 490-491 |
Journal | Chemical Communications |
Volume | 9 |
Issue number | 4 |
Publication status | Published - 21 Feb 2003 |