Electron momentum spectroscopy investigation of the HOMO and N-HOMO obitals of naphthalene

Abstract

The electron momentum profiles for 1a u and 2b 3u orbitals of naphthalene (C 10 H 8 ) were firstly studied by the binary (e, 2e) electron momentum spectroscopy (EMS), at the impact energy of 1500 eV plus binding energy. The outer valence shell binding energy spectrum of naphthalene was obtained. The experimental momentum profiles of the highest occupied molecular orbital (HOMO) and the next-HOMO were compared with Hartree-Fock (HF) and density functional theory (DFT). The experimental measurement was well described by the DFT and HF calculations except the low momentum area.