STABILIZATION OF SPIN-SINGLET ELECTRONIC STATES IN TRANSITION-METAL CLUSTERS WITH A DELOCALIZED ELECTRON-PAIR

Authors
BORSHCH SA
Citation
Sa. Borshch, STABILIZATION OF SPIN-SINGLET ELECTRONIC STATES IN TRANSITION-METAL CLUSTERS WITH A DELOCALIZED ELECTRON-PAIR, Journal of molecular structure. Theochem, 330, 1995, pp. 139-143
Citations number
18
Categorie Soggetti
Chemistry Physical
Journal title
Journal of molecular structure. Theochem → ACNP
ISSN journal
01661280
Volume
330
Year of publication
1995
Pages
139 - 143
Database
ISI
SICI code
0166-1280(1995)330:<139:SOSESI>2.0.ZU;2-5
Abstract
A model is proposed for the interpretation of magnetic properties of p olynuclear mixed-valence complexes containing a pair of delocalised el ectrons. It is shown that in many cases the delocalisation leads to a spin-singlet ground state of clusters. The combined delocalisation + v ibronic mechanism of stabilisation of the spin-singlet state is propos ed for clusters containing triangles of metal atoms.