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浅谈影响分子几何构型的因素
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作者 刘海燕 《绥化师专学报》 2004年第3期142-143,共2页
本文主要介绍了在应用VSEPR法确定分子几何构型时 ,还必须考虑到孤对效应、重键的存在、元素电负性以及相邻价电子对的数目等因素对分子的几何构型的影响。
关键词 分子 几何构型 价层电子对互斥理论 孤对效应 重键效应 电负性
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Electron Momentum Spectroscopy Investigation on Electronic Structure of Iso-dichloroethylene Valence Shell
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作者 Yi-chun Wang Shan-shan Niu +4 位作者 Ya-guo Tang Yu Zhang Xu Shan Chun-kai Xu Xiang-jun Chen 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 2019年第4期423-430,I0002,共9页
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 elec... 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. 展开更多
关键词 Electron momentum spectroscopy Valence orbital Lone-pair orbital Interference effect
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