Valence electronic structure and photofragmentation of 1,1,1,2-tetrafluoroethane (CF3-CH2F)
| Autor: | J. A. Kettunen, A. Sankari, L. Partanen, S. Urpelainen, A. Kivimäki, M. Huttula |
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| Jazyk: | angličtina |
| Rok vydání: | 2012 |
| Předmět: | |
| Zdroj: | Physical Review A (Atomic, Molecular and Optical Physics); 85(6) (2012) Physical review. A 85 (2012): 062703. doi:10.1103/PhysRevA.85.062703 info:cnr-pdr/source/autori:J. A. Kettunen, A. Sankari, L. Partanen, S. Urpelainen, A. Kivimäki, and M. Huttula/titolo:Valence electronic structure and photofragmentation of 1,1,1,2-tetrafluoroethane (CF3-CH2F)/doi:10.1103%2FPhysRevA.85.062703/rivista:Physical review. A/anno:2012/pagina_da:062703/pagina_a:/intervallo_pagine:062703/volume:85 |
| ISSN: | 1050-2947 |
| DOI: | 10.1103/PhysRevA.85.062703 |
| Popis: | 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. |
| Databáze: | OpenAIRE |
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