Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5413542 | Journal of Molecular Liquids | 2007 | 5 Pages |
Abstract
The electronic structure and solvation structure of metal complexes, [Ru(CN)6]4â and [Ru(CN)6]3â, in aqueous solution are studied by using the reference interaction site model self-consistent field (RISM-SCF). Although the electronic structure of these complexes in gas phase is similar, the solvation considerably affects the electronic structure of [Ru(CN)6]4â compared to [Ru(CN)6]3â. Microscopic solvation structure is also presented.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Hirofumi Sato, Ippei Kawamoto, Daisuke Yokogawa, Shigeyoshi Sakaki,