C_(20)分子异构体稳定性的HMO法推断  

Inferring the stability of C_(20) isomers by means of HMO

作　　者：张秀梅[1] 王利光[1] 

机构地区：[1]江南大学理学院,江苏无锡214122

出　　处：《福州大学学报（自然科学版）》2007年第S1期57-59,共3页Journal of Fuzhou University(Natural Science Edition)

基　　金：国家973计划资助项目(2003CB716204);教育部国际合作研究项目(20060360563);江苏省先进光电材料重点实验室研究项目(BM2003202)

摘　　要：环型、碟型和笼型结构是迄今发现能量最低并且可以稳定存在的C20分子的三个异构体,通过HMO法的计算,对三者的稳定性从理论上进行了研究.计算结果表明,C20分子三个异构体的稳定性依次为:笼型结构;链型结构;碗型结构.The Ring,the Bowl and the Cage have been found to be the most steady isomers of C20 molecule with the lowest energy so far.The stability of the three ones are inferred theoretically by means of HMO calculation.The results show that the stability order of the three isomers is that the first is the cage,the second is the ring,and the third is the bowl structure.

关 键 词：C20分子 异构体 HMO法 休克尔能级 稳定性 

分 类 号：O613.71[理学—无机化学]