Ren Xueguang, Zhang Shufeng, Su Guolin, Ning Chuangang, Zhou Hui, Li Bin, Huang Feng, Li Guiqin, Deng Jingkang. Electron Momentum Spectroscopy Investigation on the 2b and 3a Orbitals of Cyclohexene[J]. Chinese Journal of Chemical Physics , 2005, 18(5): 665-669. doi: 10.1088/1674-0068/18/5/665-669
Citation: Ren Xueguang, Zhang Shufeng, Su Guolin, Ning Chuangang, Zhou Hui, Li Bin, Huang Feng, Li Guiqin, Deng Jingkang. Electron Momentum Spectroscopy Investigation on the 2b and 3a Orbitals of Cyclohexene[J]. Chinese Journal of Chemical Physics , 2005, 18(5): 665-669. doi: 10.1088/1674-0068/18/5/665-669

Electron Momentum Spectroscopy Investigation on the 2b and 3a Orbitals of Cyclohexene

doi: 10.1088/1674-0068/18/5/665-669
Funds:  Project supported by the National Natural Science Foundation of China (19854002, 19774037, 10274040) and the Research Fund for the Doctoral Program of Higher Education (1999000327).
  • Received Date: 2004-10-09
  • The electron momentum profile for inner valence orbitals 2b and 3a of cyclohexene (C6H10) was firstly studied by the binary (e,2e) electron momentum spectroscopy (EMS), at the impact energy of 1200 eV plus binding energy using symmetric non-coplanar kinematics. The complete valence shell binding energy spectrum of C6H10 was also obtained. The experimental momentum profile of the summed orbitals was compared with Hartree Fock (HF) and density functional theory (DFT) methods with various basis sets. The experimental measurement was well described by the HF and DFT calculations except for the low-p region (p<0.25 a.u.). Experimental small “turn-up” effects of momentum profile in the low-p region could be due to the distorted wave effects.
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    沈阳化工大学材料科学与工程学院 沈阳 110142

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Electron Momentum Spectroscopy Investigation on the 2b and 3a Orbitals of Cyclohexene

doi: 10.1088/1674-0068/18/5/665-669
Funds:  Project supported by the National Natural Science Foundation of China (19854002, 19774037, 10274040) and the Research Fund for the Doctoral Program of Higher Education (1999000327).

Abstract: The electron momentum profile for inner valence orbitals 2b and 3a of cyclohexene (C6H10) was firstly studied by the binary (e,2e) electron momentum spectroscopy (EMS), at the impact energy of 1200 eV plus binding energy using symmetric non-coplanar kinematics. The complete valence shell binding energy spectrum of C6H10 was also obtained. The experimental momentum profile of the summed orbitals was compared with Hartree Fock (HF) and density functional theory (DFT) methods with various basis sets. The experimental measurement was well described by the HF and DFT calculations except for the low-p region (p<0.25 a.u.). Experimental small “turn-up” effects of momentum profile in the low-p region could be due to the distorted wave effects.

Ren Xueguang, Zhang Shufeng, Su Guolin, Ning Chuangang, Zhou Hui, Li Bin, Huang Feng, Li Guiqin, Deng Jingkang. Electron Momentum Spectroscopy Investigation on the 2b and 3a Orbitals of Cyclohexene[J]. Chinese Journal of Chemical Physics , 2005, 18(5): 665-669. doi: 10.1088/1674-0068/18/5/665-669
Citation: Ren Xueguang, Zhang Shufeng, Su Guolin, Ning Chuangang, Zhou Hui, Li Bin, Huang Feng, Li Guiqin, Deng Jingkang. Electron Momentum Spectroscopy Investigation on the 2b and 3a Orbitals of Cyclohexene[J]. Chinese Journal of Chemical Physics , 2005, 18(5): 665-669. doi: 10.1088/1674-0068/18/5/665-669

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