足球分子及有关碳笼的电子结构  

THE ELECTRONIC STRUTURE OF BUCKMINSTERFULLERENE AND RELATED CARBON CLUSTERS

作　　者：封继康[1] 李君[1] 

机构地区：[1]吉林大学化学系,长春130023

出　　处：《化学研究与应用》1991年第3期32-41,共10页Chemical Research and Application

摘　　要：本文评述了激光气化产生的碳原子簇的电子结构和活性。足球分子具有球面芳香性。我们用INDO/2和INDO/CI系列方法。研究了足球分子及其异构体的电子结构和UV谱。足球分子的计算结果是只有一条低频带(366.4nm),与实验结果(386.0nm)符合得很好。The electronic structure and reactivity of carbon clusters produced by laser uaporization have heen reviewed. Many works have already heen done on the foot kallcne and related related carbon clusters, and the general idea is that it has sphrical aromatic characteristics. We use the INDO/ 2 and INDO/CI scries methods, to investigate the electrnic structure and UV spectra of footballcne and its isomers. The calculated spectrum of foothallcne has one allowed low-lying hand at 366.4nm, and the experimental absorption maximum is at 386.0nm. The two values are in good agreement with each other.

关 键 词：综述 足球分子 稳定性 UV谱 

分 类 号：O6[理学—化学]