The electronic states of the dioxo-di-µ-oxo-dimolybdate(V) group
- 1 January 1972
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in J. Chem. Soc., Dalton Trans.
- No. 11,p. 1105-1108
- https://doi.org/10.1039/dt9720001105
Abstract
A theoretical study of the dioxodi-µ-oxo-dimolybdate(V) group by the all valence-electron SCMO method is presented. In the calculations described here, one molybdenum atom is complexed to the tridentate ligand L-cysteine and the other to two hydroxy-groups and one water molecule. It is found that there is considerable Mo–Mo bonding which is principally of σ type and four electronic transitions, all involving the Mo–Mo bond, are calculated to occur in the region 18,000–40,000 cm–1. These agree well with those found in the spectra of the di-µ-oxo-bis[oxo-(L-cysteinato)molybdate(V)] ion.Keywords
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