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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
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
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
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: