EMS investigation of inner valance orbital 1a" for butanone

Abstract

The binding energy and the spherically averaged momentum distributions of orbital 1a″for butanone have been investigated by high resolution electron momentum spectroscopy (ΔE=1.15eV, Δp=0.1a.u.). The impact energy was 1200eV plus binding energy (i.e. 1206—1242eV) and symmetric non-coplanar kinematics was employed. The experimental binding energy spectra have been compared with published photoelectron spectra. The momentum profile of 1a″ orbital has been compared on a quantitative basis with theoretical calculations using Hartree-Fock method and Density Functional Theory. The position density and momentum density for 1a″ orbital are presented.