Open AccessOPTICAL ABSORPTION OF THE PYRAZINE-BRIDGED MIXED-VALENCE DIMER
Author(s) -
Jie Peng
Publication year - 1991
Publication title -
wuli xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.199
H-Index - 47
ISSN - 1000-3290
DOI - 10.7498/aps.40.862
Subject(s) - pyrazine , antibonding molecular orbital , dimer , valence (chemistry) , ion , materials science , crystallography , molecular physics , atomic physics , chemical physics , physics , stereochemistry , chemistry , nuclear magnetic resonance , atomic orbital , electron , quantum mechanics
A many-mode model which contains the intra-structure of pyrazine ring is presented and applied to the Creutz-Taube ion, a pyrazi ne-bridged mixed-valence compound of ruth-enium. In C-T ion, two Ru4dxz obitals are coupled with one π* obital on the pyrazine bridged ligand. They form linear combination which we lable as bonding (B), nonbonding (N), and antibonding (A) combination. Three many-dimensional potential surfaces are constructed. And the optical absorptions are considered as corresponding to transition between related potential surfaces. The results are more close to experimental data.