Electron Momentum Spectroscopy of Valence Orbitals of Cyclopentene:Nuclear Dynamics and Distorted Wave Effect  

环戊烯分子价轨道电子动量分布的核运动效应和扭曲波效应的研究

作　　者：Zhao-hui Liu En-liang Wang Ya-guo Tang Shan-shan Niu Xu Shan Xiang-jun Chen 刘朝辉;王恩亮;唐亚国;牛珊珊;单旭;陈向军(中国科学技术大学近代物理系合肥微尺度物质科学国家研究中心,合肥230026;堪萨斯州立大学物理系麦克唐纳实验室,曼哈顿66506)

机构地区：[1]Hefei National Laboratory for Physical Sciences at the Microscale and Department of Modern Physics,University of Science and Technology of China,Hefei 230026,China [2]J.R.Macdonald Laboratory,Physics Department,Kansas State University,Kansas 66506,USA

出　　处：《Chinese Journal of Chemical Physics》2022年第5期783-796,I0012,共15页化学物理学报（英文）

基　　金：supported by the National Natural Science Foundation of China(No.11534011,No.11874339,No.11804328);the National Key Research and Development Program of China(No.2017YFA0402300)。

摘　　要：We report a measurement of electron momentum distributions of valence orbitals of cyclopentene employing symmetric noncoplanar(e,2e)kinematics at impact energies of 1200 and 1600 eV plus the binding energy.Experimental momentum profiles for individual ionization bands are obtained and compared with theoretical calculations considering nuclear dynamics by harmonic analytical quantum mechanical and thermal sampling molecular dynamics approaches.The results demonstrate that molecular vibrational motions including ring-puckering of this flexible cyclic molecule have obvious influences on the electron momentum profiles for the outer valence orbitals,especially in the low momentum region.Forπ^(*)-like molecular orbitals 3a′′,2a′′,and 3a′,the impact-energy dependence of the experimental momentum profiles indicates a distorted wave effect.

关 键 词：Electron momentum profile Nuclear dynamics Ring-puckering Distorted wave effect 

分 类 号：O643.1[理学—物理化学]