STRUCTURAL RULES OF TRANSITIONMETAL CARBONYL COMPOUNDS

作     者：唐敖庆 李前树 TANG AOQING AND LI QIANSHU (Institute of Theoretical Chemistry, Jilin University, Changchun)

作者机构：Institute of Theoretical Chemistry Jilin University Changchun 

出 版 物：《Science in China,Ser.B》 (中国科学B辑(英文版))

年 卷 期：1988年第31卷第8期

页      面：918-925页

核心收录：

学科分类：07[理学] 0703[理学-化学] 

主　　题：transition metal carbonyl compounds structure rule electronic eonfiguration EHMO calculations. 

摘      要：In this article we have proposed two topological rules to account for the electronic structures of transition-metal carbonyl compounds. The second rule is applied to those which have polyhedral metalhc skeletons with triangular faces and their derivates, while the first rule is applied to all the others We have used these two rules to analyze 261 structure-known compounds with the number of metal atoms from 2 to 12, and the results show that the two rules are in good agreement with the experimental facts. Furthermore, we have also derived from the second rule a formula which can be used to account for the electronic structures of closedpacking carbonyl compounds and which is the same as that given by Ciani and his coworkers.