物理化学学报 >> 1998, Vol. 14 >> Issue (11): 965-967.doi: 10.3866/PKU.WHXB19981102

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C4H10分子的价电子的结构研究

庞文宁, 高乃飞, 尚仁成, 张文新, 郑延友, 陈学俊   

  1. 清华大学物理系,北京 100084
  • 收稿日期:1998-07-07 修回日期:1998-08-19 发布日期:1998-11-15
  • 通讯作者: 庞文宁

Investigated of Valence Orbital Electron Structure for C4H10

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

  1. Department of Physics,Tsinghua University,Beijing 100084
  • Received:1998-07-07 Revised:1998-08-19 Published:1998-11-15
  • Contact: Pang Wen-Ning

关键词: C4H10, 结合能谱, 动量分布

Abstract:

We report here the measurements of valence electron structure for the n-butane (C4H10) using high resolution (ΔE=0.9 eV FWHM, ΔP=0.1 a.u.) (e,2e) spectrometer. The impact energy was 1200eV plus binding energy (i.e. 1206 to 1232 eV) and symmetric non-coplanar kinematics was employed. The inner-and outer-valence energy spectrum is in agreement with published Photoelectron data. The experimental momentum profiles have been 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) density methods with a high level basis set. The agreement between theory and experiment for shape of orbital electron momentum distributions is generally good.

Key words: C4H10, Binding energy spectra, Momentum profiles