AN INVESTIGATION OF ELECTRON MOMENTUM SPECTROSCOPY FOR ETHANE

Citation
Sx. Tian et al., AN INVESTIGATION OF ELECTRON MOMENTUM SPECTROSCOPY FOR ETHANE, Journal of physics. B, Atomic molecular and optical physics, 31(9), 1998, pp. 2055-2064
Citations number
24
Categorie Soggetti
Physics, Atomic, Molecular & Chemical",Optics
ISSN journal
09534075
Volume
31
Issue
9
Year of publication
1998
Pages
2055 - 2064
Database
ISI
SICI code
0953-4075(1998)31:9<2055:AIOEMS>2.0.ZU;2-1
Abstract
The binding energies and electron momentum distributions of the five v alence orbitals of C2H6 have been measured at high momentum resolution . The measured binding energy spectrum has been compared favourably wi th the results of previously published experimental data, theoretical calculations and outer-valence Green function method calculation of th is work. The measured momentum profiles have been quantitatively compa red with momentum distributions predicted by Snyder and Basch molecula r wavefunctions, self consistent field (SCF) wavefunctions up to the n ear-Hartree-Fock limit, density functional theory calculations and exp erimental data (Dey et al 1976 J. Electron Spectrosc. Relat. Phenom. 9 397). They are found to be in excellent agreement with Snyder and Bas ch molecular wavefunctions and density functional theory calculations, especially for the 3a(1g) orbital. The density maps for oriented C2H6 molecule in position and momentum space are presented.