【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.更多还原

【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.更多还原