An　SCF－MS－Xα　Study　of　the　Electronic　Structures　of　Binuclear　and　Trinuclear　Gold（Ⅰ）　Compounds

作     者：GUO Chun-xiao(Department of Chemistry,Jilin University,Changchun,130023)CHAN Chi-keung and CHE Chi-ming(Department of Chemistry,University of Hongkong,Hongkong) 

作者机构：JILIN UNIVDEPT CHEMCHANGCHUN 130023PEOPLES R CHINA UNIV HONG KONGDEPT CHEMHONG KONGHONG KONG 

出 版 物：《Chemical Research in Chinese Universities》 (高等学校化学研究（英文版）)

年 卷 期：1996年第12卷第4期

页      面：378-389页

核心收录：

学科分类：081704[工学-应用化学] 07[理学] 070304[理学-物理化学(含∶化学物理)] 08[工学] 0817[工学-化学工程与技术] 0703[理学-化学] 

主　　题：s:Electronic structure,SCF-Xα-SW Gold(Ⅰ) 

摘      要：The SCF-Xα-SW molecular orbital calculations were carried out on the modelcompounds of binuclear and trinuclear gold(Ⅰ)using starting potential of Au atom and the Watson *** energy level order of the frontier orbital of a binuclear gold model compound is in agreement with the experimental *** calculated ionization potential of the binuclear model compound is consistent well with the photoelectron spectrum of Au (Me)(PMe_3).The metal-metal interactions are *** calculated electronic absorption spectra of binuclear and trinuclear gold(Ⅰ)are basically in agreement with experimental results.