ELECTRONIC-STRUCTURE AND SPIN BONDS IN THE [(NH3)(5)CR-O-CR(NH3)(5)](4+) COMPLEX

Authors
SIZOVA OV PANIN AI BARANOVSKII VI SHIROKOV DV
Citation
Ov. Sizova et al., ELECTRONIC-STRUCTURE AND SPIN BONDS IN THE [(NH3)(5)CR-O-CR(NH3)(5)](4+) COMPLEX, Journal of structural chemistry, 38(3), 1997, pp. 375-381
Citations number
18
Journal title
Journal of structural chemistry → ACNP
ISSN journal
00224766
Volume
38
Issue
3
Year of publication
1997
Pages
375 - 381
Database
ISI
SICI code
0022-4766(1997)38:3<375:EASBIT>2.0.ZU;2-U
Abstract
The electronic structure of the lowest singlet, triplet, quintet, and septet states of the binuclear complex [Cr(NH3)(5)](2)O4+ are calculat ed by the semiempirical MC SCF method in the INDO approximation. Schem es of spin coupling of Cr-O-Cr in these states are analyzed.