The electronic structure and bonding interactions in the syn, anti, and closed isomers of [MO2S4(S2C2H4)2]2- are examined and compared through extended Hückel and Fenske-Hall molecular orbital calculations. A molybdenum-molybdenum bonding interaction is found to account for the diamagnetism of the complexes and to be important in determining the relative stability of the isomers. The predicted stabilities are syn > closed > anti.
ASJC Scopus subject areas
- Physical and Theoretical Chemistry
- Inorganic Chemistry