Volume 14, 1980

Dependence of stability, bond strength and electronic structure of dimetal units upon atomic number, oxidation number and chemical environment

Abstract

The electronic structures of the Cr2 and Mo2 units in the form of neutral diatomic molecules, charged diatomic molecules and coordinated by ligands have been investigated by SCF–Xα–SW calculations, supplemented by projection of the Xα MOs in atomic orbital basis sets (the PXα procedure). The results are compared with the experimental data on Cr2, Mo2 and the many CrII2Ln and MoII2Ln complexes.

Article information

Article type
Paper

Faraday Symp. Chem. Soc., 1980,14, 180-193

Dependence of stability, bond strength and electronic structure of dimetal units upon atomic number, oxidation number and chemical environment

B. E. Bursten and F. A. Cotton, Faraday Symp. Chem. Soc., 1980, 14, 180 DOI: 10.1039/FS9801400180

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