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Investigation of outer valence orbital of CF2Cl2 by a new type of electron momentum spectrometer

Keywords: electron momentum spectroscopy,CF电子动力分光计 轨道分配 电子态 价电子electron momentum spectroscopy,CF2Cl2,orbital assignment
电子动力分光计
,轨道分配,电子态,价电子

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Abstract:

Electronic states of CF$_{2}$Cl$_{2}$ (dichlorodifluoromethane, Freon 12) have been studied using a new type of electron momentum spectrometer with a very high efficiency at an impact energy of 1200 eV plus binding energy. The experimental electron momentum profiles are compared with the density functional theory (DFT) and Hartree--Fock (HF) calculations. The relationship between orbital assignments in different coordinate systems is discussed. A new method of difference analysis based on the new type of electron momentum spectrometer is used to clarify the ambiguities regarding the orbital ordering.

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