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.
1992
G., Berthier; Cimiraglia, Renzo; A., Daoudi; H., Mestdagh; C., Rolando; M., Suard
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11392/1814704
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