异丁烷分子内价轨道的电子动量谱学研究

EMS investigation of inner valance orbital for Isobatane

在高分辨率电子动量谱仪上首次获得了异丁烷分子 (Isobutane)的结合能谱和动量谱的实验结果 ,并用HF和DFT方法做了理论计算。实验结果与理论计算符合较好。

The binding wnergy and the spherically averaged momentum distributions of inner valance orbital for Isobutane have been investigated by high resolution electron momentum spectroscopy( ΔE =0.9 eV, ΔP ～0.1 a.u.). The impact energy was 1200 eV plus binding energy(i.e. 1205—1232 eV) and a symmetric non coplanar kinematics was employed. The experimental binding energy spectra have been compared with published photoelectron spectra. The momentum profiles of inner valance orbital have been compared on a quantitative with theroretical calculations obtained using Hartree Fock method and Density Function Theory. The position density and momentum density for inner valance orbital are repoted.