摘要
继过去20多年过渡金属原子簇化学的飞速发展,大量含μ2-S桥的双核或多核过渡金属簇合物相继被合成出来.虽然对含弱端基配体桥硫簇合物的电子结构和成键特征用各种量子化学方法进行了较为广泛的研究,但对含强端基配体桥硫异金属簇合物的电子结构方面的研究尚少.为系统地总结桥硫簇合物的成键规律,本文用MAD—SCC—EHMO法计算了6个端基配体为NO或CO的异金属桥硫簇合物的电子结构,并系统地分析其成键特征。
The electronic structures of six thiometalato complexes containing strong terminal ligands [S2MoS2Mo(CO)4]2-(l), [S2WS2Mo(CO)4]2-(2), [S2MoS2Fc(NO)2]2-(3), [O2MoS2Co(NO)2]-(4), [S2WS2Co(NO)2]-(5), and [(NO)2Fe(WS4)2]2-(6) have been studied by using the MAD-SCC-EHMO method. The comparison of the bonding property among three classes complexes was performed. The unstability of [(NO)2Fc(WS4)2]2- was interpreted on the basis of calculation results.
出处
《无机化学学报》
SCIE
CAS
CSCD
北大核心
1993年第4期443-446,共4页
Chinese Journal of Inorganic Chemistry
