锕系化合物多重化学键的理论研究  

Theoretical Investigations on Actinide Complexes With Multiple-Bonds

作　　者：胡憾石[1] 吴国是[1] 李隽[1] 

机构地区：[1]清华大学化学系理论与计算化学实验室,北京100084

出　　处：《核化学与放射化学》2009年第B07期25-34,共10页Journal of Nuclear and Radiochemistry

基　　金：国家自然科学基金委杰出青年基金资助项目(NSFC20525104)

摘　　要：本文简要总结了我国化学工作者在锕系化合物量子化学研究上的若干结果。在此基础上,重点介绍了锕系元素多重化学键的相对论量子化学理论研究的进展,特别是本文作者对锕系元素与主族元素间形成的双键和叁键的理论研究工作。In this mini-review article, we highlight the importance of theoretical actinide chemistry in developing heavy-element chemistry. The computational research efforts in China on actinide small molecules and complexes are briefly summarized. The article mainly focuses on the theoretical investigations that have been carried out by the present authors and collaborators on actinide systems with multiple chemical bonds, with special attention to the double- and triple-bonded complexes containing actinide and main-group elements.

关 键 词：锕系元素 主族元素 多重键 自然键轨道 键级 

分 类 号：O641.12[理学—物理化学]