多核过渡金属配合物自旋阻挫的理论研究  

Theoretical study on spin frustration in multinuclear transition metal complexes

作　　者：卫海燕[1] 陈志达[1] 王凡[1] 

机构地区：[1]北京大学化学与分子工程学院

出　　处：《分子科学学报》2005年第6期48-55,共8页Journal of Molecular Science

基　　金：国家自然科学基金资助项目(20273005);教育部博士点基金资助项目(20030001066)

摘　　要：区别于双核配合物,自旋阻挫是多核配合物重要的磁现象之一.在分子磁体系中,自旋阻挫引起体系基态的多变和简并以及可能的基态自旋中间值等特征.简要地介绍多核配合物磁耦合竞争自旋阻挫的理论研究进展.The spin frustration is one of important magnetic phenomena in multinuclear transition metal complexes, distincting from in the case of dinuclear complexes. In molecular magnetic systems the spin frustration causes the variety, degeneracy and mediated spin value of the ground spin state. In the present review the advance of theoretical studies on the spin frustration leaded from competing magnetic coupling interactions is briefly summarized.

关 键 词：分子磁学 自旋阻挫 磁耦合 DFT CASPT2 

分 类 号：O641[理学—物理化学]