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Title: Vibrational effects on valence electron momentum distributions of CH{sub 2}F{sub 2}

We report an electron momentum spectroscopy study of vibrational effects on the electron momentum distributions for the outer valence orbitals of difluoromethane (CH{sub 2}F{sub 2}). The symmetric noncoplanar (e,2e) experiment has been performed at an incident electron energy of 1.2 keV. Furthermore, a theoretical calculation of the electron momentum distributions of the CH{sub 2}F{sub 2} molecule has been carried out with vibrational effects being involved. It is shown from comparisons between experiment and theory that it is essential to take into account influences of the CH{sub 2} asymmetric stretching and CH{sub 2} rocking vibrational modes for a proper understanding of the electron momentum distribution of the 2b{sub 1} orbital having the CH-bonding character. The results of CH{sub 2}F{sub 2}and additional theoretical calculations for (CH{sub 3}){sub 2}O and H{sub 2}CO molecules strongly suggest that vibrational effects on electron momentum distributions tend to be appreciable for non-total symmetry molecular orbitals delocalized over some equivalent CH-bond sites.
Authors:
; ;  [1]
  1. Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, Sendai 980-8577 (Japan)
Publication Date:
OSTI Identifier:
22415428
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 141; Journal Issue: 24; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; ASYMMETRY; BONDING; COMPARATIVE EVALUATIONS; ELECTRON SPECTROSCOPY; ELECTRONS; HYDROCARBONS; KEV RANGE; MOLECULES; ORGANIC FLUORINE COMPOUNDS; SYMMETRY; VALENCE