Investigation of the solvatochromic electronic transitions of [Ru(NH3)4bipyridine]2+

被引：10

作者：

Streiff, JH ^{[1
]}

Edwards, WD ^{[1
]}

McHale, JL ^{[1
]}

机构：

[1] Univ Idaho, Dept Chem, Moscow, ID 83844 USA

来源：

CHEMICAL PHYSICS LETTERS | 1999年 / 312卷 / 5-6期

关键词：

D O I：

10.1016/S0009-2614(99)00994-X

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The electronic transitions of [Ru(NH3)(4)bipyridine](2+) were examined. The two longest wavelength absorption bands red-shift with increasing Gutmann donor number of the solvent, and the lowest energy band is split by about 1500 cm(-1) in a mixed alcohol glass at 77 K. INDO/S calculations were employed to interpret the solvent-dependent electronic spectrum. The calculation predicts a number of closely spaced d(pi) --> pi* transitions, polarized in the plane of the bipyridine, as well as weak perpendicularly polarized non-bonding d --> pi* transitions. The results point out the limitations of simple molecular orbital descriptions of nominal metal-to-ligand charge-transfer transitions. (C) 1999 Elsevier Science B.V. All rights reserved.

引用

页码：369 / 375

页数：7

共 21 条

[1] Solvent effect on the optical properties of [(NH3)5Ru-pyrazine]+m (m=2,3) complexes by ab initio calculations [J].