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Electron Momentum Spectroscopy Investigation on Electronic Structure of Iso-dichloroethylene Valence Shell
Yi-chun Wang,Shan-shan Niu,Ya-guo Tang,Yu Zhang,Xu Shan,Chun-kai Xu*,Xiang-jun Chen
Author NameAffiliationE-mail
Yi-chun Wang Hefei National Laboratory for Physical Sciences at the Microscale and Department of Modern Physics, University of Science and Technology of China, Hefei 230026, China  
Shan-shan Niu Hefei National Laboratory for Physical Sciences at the Microscale and Department of Modern Physics, University of Science and Technology of China, Hefei 230026, China  
Ya-guo Tang Hefei National Laboratory for Physical Sciences at the Microscale and Department of Modern Physics, University of Science and Technology of China, Hefei 230026, China  
Yu Zhang Hefei National Laboratory for Physical Sciences at the Microscale and Department of Modern Physics, University of Science and Technology of China, Hefei 230026, China  
Xu Shan Hefei National Laboratory for Physical Sciences at the Microscale and Department of Modern Physics, University of Science and Technology of China, Hefei 230026, China  
Chun-kai Xu* Hefei National Laboratory for Physical Sciences at the Microscale and Department of Modern Physics, University of Science and Technology of China, Hefei 230026, China xuck@ustc.edu.cn 
Xiang-jun Chen Hefei National Laboratory for Physical Sciences at the Microscale and Department of Modern Physics, University of Science and Technology of China, Hefei 230026, China  
Abstract:
Here an electron momentum spectroscopy study on the electronic structure of valence shell of iso-dichloroethylene molecule is reported. The experiment is carried out with a binary (e, 2e) spectrometer at incident electron energy of 1200 eV, employing noncoplanar symmetric arrangement. The binding energy spectra and electron momentum distributions (EMDs) of iso-dichloroethylene valence shell have been obtained. Theoretical EMDs are predicted with both Hartree-Fock and density functional theory methods, generally indicating good agreements with the measurement results. The interference effect is observed to significantly influence the EMDs of 2a2 and 5b2 Cl lone-pair orbitals.
Key words:  Electron momentum spectroscopy, Valence orbital, Lone-pair orbital, Interference effect
FundProject:
异二氯乙烯价壳层轨道电子结构的电子动量谱研究
王忆纯,牛珊珊,唐亚国,张 钰,单 旭,徐春凯*,陈向军
摘要:
本文报道了异二氯乙烯分子价壳层轨道电子结构的电子动量谱研究. 实验由一台(e,2e)电子动量谱仪在非共面对称的几何条件下开展,入射电子能量为1200 eV. 实验获得了异二氯乙烯价壳层各个轨道的电离能谱和电子动量分布. 采用Hartree-Fock方法和密度泛函方法结果与实验数据基本一致. 研究发现,干涉效应会对2a2和5b2这两个Cl孤对电子轨道的电子动量分布产生显著影响.
关键词:  电子动量谱,价壳层轨道,孤对电子轨道,干涉效应
DOI:10.1063/1674-0068/cjcp1903059
分类号: