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Electron momentum spectroscopy investigation on the electronic structure of iso-dichloroethylene valence shell
XuChunkai
作者单位E-mail
XuChunkai Hefei National Laboratory for Physical Sciences at the Microscale and Department of Modern Physics, University of Science and Technology of China, Hefei, Anhui, 230026, China xuck@ustc.edu.cn 
摘要:
Here an electron momentum spectroscopy study on the electronic structure of valence shell of iso-dichloroethylene molecule is reported. The experiment is carried out by a binary (e, 2e) spectrometer at incident electron energy of 1200 eV, employing noncoplanar symmetric arrangement. The binding energy spectrum as well as electron momentum distributions (EMDs) of iso-dichloroethylene valence shell have been obtained. Theoretical calculations are performed using both Hartree–Fock and density functional theory methods. The agreements of the calculated EMDs with the measured ones are shown to be in general good. The interference effect is observed to significantly influence the EMDs of 2a2 and 5b2 Cl lone-pair orbitals.
关键词:  electron momentum spectroscopy, valence orbital, lone-pair orbital, interference effect
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Electron momentum spectroscopy investigation on the electronic structure of iso-dichloroethylene valence shell
XuChunkai
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 by a binary (e, 2e) spectrometer at incident electron energy of 1200 eV, employing noncoplanar symmetric arrangement. The binding energy spectrum as well as electron momentum distributions (EMDs) of iso-dichloroethylene valence shell have been obtained. Theoretical calculations are performed using both Hartree–Fock and density functional theory methods. The agreements of the calculated EMDs with the measured ones are shown to be in general good. 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