ELECTRONIC-STRUCTURE, SPECTRUM, AND INTRAMOLECULAR ELECTRON-TRANSFER MODEL OF [(NH3)(5)RU-(4,4'-BIPY)-RU(NH3)(5)](5+)

Authors
SIZOVA OV PANIN AI IVANOVA NV BARANOVSKII VI
Citation
Ov. Sizova et al., ELECTRONIC-STRUCTURE, SPECTRUM, AND INTRAMOLECULAR ELECTRON-TRANSFER MODEL OF [(NH3)(5)RU-(4,4'-BIPY)-RU(NH3)(5)](5+), Journal of structural chemistry, 38(3), 1997, pp. 366-374
Citations number
18
Journal title
Journal of structural chemistry → ACNP
ISSN journal
00224766
Volume
38
Issue
3
Year of publication
1997
Pages
366 - 374
Database
ISI
SICI code
0022-4766(1997)38:3<366:ESAIEM>2.0.ZU;2-0
Abstract
The electronic structure of the ground and excited states of the binuc lear mixed-valence complex [Ru(NH3)(5)](2)(4,4'-bipy)(5+) is calculate d by the semiempirical INDO + CI method, and an electronic spectrum as signment is given. A theoretical model of electron transfer between th e Ru(II) and Ru(III) metal centers is constructed on the basis of many -electron wave functions. The dependence of the electron transfer char acteristics on the angles between the planes of the pyridine rings and also between the pyridine rings and the planes of cis(NH3)-Ru-cis(NH3 ) is analyzed.