The browser you are using is not supported by this website. All versions of Internet Explorer are no longer supported, either by us or Microsoft (read more here: https://www.microsoft.com/en-us/microsoft-365/windows/end-of-ie-support).

Please use a modern browser to fully experience our website, such as the newest versions of Edge, Chrome, Firefox or Safari etc.

Valence electronic structure and photofragmentation of 1,1,1,2-tetrafluoroethane (CF3-CH2F)

På svenska

Author

  • J. A. Kettunen
  • Anna Sankari
  • L. Partanen
  • Samuli Urpelainen
  • A. Kivimaeki
  • M. Huttula

Summary, in English

The electronic structure and fragmentation of the hydrofluorocarbon compound 1,1,1,2-tetrafluoroethane (CF3-CH2F) were studied using spectroscopical methods and quantum chemical calculations. Valence photoelectron spectra and the ionic fragmentation products were recorded with synchrotron radiation in the vacuum ultraviolet (VUV) region. The geometric and electronic structures of the CF3-CH2F molecule were calculated using the complete active space perturbation theory of second order. The calculated vertical ionization energies were used to interpret the experimental photoelectron spectrum. VUV photodissociation of the sample molecule was studied with photoelectron-photoion coincidence spectroscopy. Coincident ion yields are shown for several cations as a function of electron binding energy. The experimental data are discussed in comparison with theory and previous work.

Publishing year

2012

Language

English

Publication/Series

Physical Review A (Atomic, Molecular and Optical Physics)

Volume

85

Issue

6

Document type

Journal article

Publisher

American Physical Society

Topic

  • Natural Sciences
  • Atom and Molecular Physics and Optics
  • Physical Sciences

Status

Published

ISBN/ISSN/Other

  • ISSN: 1050-2947