Vibrational effects on valence electron momentum distributions of CH{sub 2}F{sub 2}
- Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, Sendai 980-8577 (Japan)
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.
- OSTI ID:
- 22415428
- Journal Information:
- Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 24 Vol. 141; ISSN JCPSA6; ISSN 0021-9606
- Country of Publication:
- United States
- Language:
- English
Similar Records
Determination of electronic momentum distributions and atomic and molecular structure using the (e,2e) reaction. [Review]
Electron momentum spectroscopy of cis-, trans- and iso- butene