The electronic structures and geometrical parameters of the CuCH4+ and FeCO+ adducts as observed in mass spectroscopy experiments for instance, were determined by means of ab initio LCGO-SCF and perturbation CI calculations. These cations are predicted to be stable complexes in which the bonding between metal and ligand is mainly due to electrostatic factors, in accordance with previous results for the great majority of ML+ complexes.
Bonding in the CuCH4+ and FeCO+ cations
CIMIRAGLIA, Renzo;
1992
Abstract
The electronic structures and geometrical parameters of the CuCH4+ and FeCO+ adducts as observed in mass spectroscopy experiments for instance, were determined by means of ab initio LCGO-SCF and perturbation CI calculations. These cations are predicted to be stable complexes in which the bonding between metal and ligand is mainly due to electrostatic factors, in accordance with previous results for the great majority of ML+ complexes.File in questo prodotto:
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