物理化学学报 >> 1998, Vol. 14 >> Issue (10): 874-876.doi: 10.3866/PKU.WHXB19981003

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丙烷分子的价轨道(2b2)电子的动量分布测量

庞文宁, 尚仁成, 高乃飞, 郑延友, 陈学俊   

  1. 清华大学物理系，北京 100084
  • 收稿日期:1998-06-17 修回日期:1998-08-14 发布日期:1998-10-15
  • 通讯作者: 庞文宁

Measurement of Momentum Profiles for Propane valence Orbitals(2b2)

Pang Wen-Ning, Shang Ren-Cheng, Gao Nai-Fei, Zheng Yan-You, Chen Xue-Jun   

  1. Department of Physics,Tsinghua University,Beijing 100084
  • Received:1998-06-17 Revised:1998-08-14 Published:1998-10-15
  • Contact: Pang Wen-Ning

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关键词: C3H8, (e,2e), 动量谱, 结合能谱

Abstract:

We report here the first measurements of momentum profiles for the propane (C3H8)valence orbitals using high resolution (△E=0.9 eV FWHM, △p=0.1 a.u.) (e,2e) electron momentum spectrometer. The impact energy was 1200 eV with binding energy l206 to 1232 eV and symmetric non-coplanar kinematics was employed. The inner-valence spectrum is in agreement with published photoelectron data. Excited ionic states corresponding to many-body electron correlation processes were observed for propane above 25 eV. The experimental momentum profiles were compared with calculations obtained using Hartree-Fock method with the minimum basis set and a high-level basis set, and also using density functional theory (DFT) local density and nonlocal density methods with a high level basis set. The agreement between theory and experiment for the shape of orbital electron momentum distributions is generally good.

Key words: C3H8, (e,2e), Momentum spectra, Binding spectra