Twisted Angle of Allene Cation From Analysis of High-Resolution Photoelectron Spectrum  

作　　者：杨忠志 牛淑云 王来生 

机构地区：[1]Institute of Theoretical Chemistry, Jilin University, Changchun 130023 PRC

出　　处：《Chinese Science Bulletin》1993年第20期1722-1725,共4页

基　　金：Project supported by the National Natural Science Foundation of China.

摘　　要：1 Introduction Allene is a prototype molecule with D_2d molecular point group. In its ground state, the two planes scanned by the two CH₂ groups are perpendicular, corresponding to two normal π molecular orbitals, i. e. the twisted angle of the two CH₂ groups is 90°. It is of special interest to investigate the change of the twisted angle when allene is ionized. As well known, the individual bands of photoelectron （PE） spectra reflect the corresponding states of the cation studied. Several papers have been published to discuss the twisted angles of allene cation in its ground state, but the values of the twisted angle obtained by different methods are not in good agreement. Recently, high-resolution molecular

关 键 词：TWISTED ANGLE ALLENE CATION PE spectrum. 

分 类 号：N[自然科学总论]