https://www.selleckchem.com/pr....oducts/nsc697923.htm
The calculated bond dissociation energies for the loss of both Fe(CO)5 ligands from the cations [MFe(CO)5 2 ]+ show the order M=Au (De =137.2 kcal mol-1 )Cu (De =109.0 kcal mol-1 )Ag (De =92.4 kcal mol-1 ). The QTAIM analysis shows bond paths and bond critical points for the M-Fe linkage but not between M and the CO ligands. The EDA-NOCV calculations suggest that the [Fe(CO)5 ]→M+ ←[Fe(CO)5 ] donation is significantly stronger than the [Fe(CO)5 ]←M+ →[Fe(CO)5 ] backdonation. Inspection of the pairwise orbital interactions iden
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