Valence electronic structure and photofragmentation of 1,1,1,2-tetrafluoroethane (CF3-CH2F)
(2012) In Physical Review A (Atomic, Molecular and Optical Physics) 85(6).- Abstract
- 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... (More)
- 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. (Less)
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/2887464
- author
- Kettunen, J. A. ; Sankari, Anna LU ; Partanen, L. ; Urpelainen, Samuli LU ; Kivimaeki, A. and Huttula, M.
- organization
- publishing date
- 2012
- type
- Contribution to journal
- publication status
- published
- subject
- in
- Physical Review A (Atomic, Molecular and Optical Physics)
- volume
- 85
- issue
- 6
- publisher
- American Physical Society
- external identifiers
-
- wos:000305520600001
- scopus:84862542176
- ISSN
- 1050-2947
- DOI
- 10.1103/PhysRevA.85.062703
- language
- English
- LU publication?
- yes
- id
- bdf3f588-c37b-4341-825a-7e7c5713e589 (old id 2887464)
- date added to LUP
- 2016-04-01 09:48:17
- date last changed
- 2022-04-03 23:24:58
@article{bdf3f588-c37b-4341-825a-7e7c5713e589,
abstract = {{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.}},
author = {{Kettunen, J. A. and Sankari, Anna and Partanen, L. and Urpelainen, Samuli and Kivimaeki, A. and Huttula, M.}},
issn = {{1050-2947}},
language = {{eng}},
number = {{6}},
publisher = {{American Physical Society}},
series = {{Physical Review A (Atomic, Molecular and Optical Physics)}},
title = {{Valence electronic structure and photofragmentation of 1,1,1,2-tetrafluoroethane (CF3-CH2F)}},
url = {{https://lup.lub.lu.se/search/files/1269561/3129541.pdf}},
doi = {{10.1103/PhysRevA.85.062703}},
volume = {{85}},
year = {{2012}},
}