A1 Refereed original research article in a scientific journal
Valence band photoelectron spectra of [EMIM][BF4] ionic liquid vapor: Evidences of electronic relaxation
Authors: Kuusik I, Tarkanovskaja M, Kruusma J, Kisand V, Tonisoo A, Lust E, Nommiste E
Publisher: ELSEVIER SCIENCE BV
Publication year: 2016
Journal: Journal of Molecular Liquids
Journal name in source: JOURNAL OF MOLECULAR LIQUIDS
Journal acronym: J MOL LIQ
Volume: 223
First page : 939
Last page: 942
Number of pages: 4
ISSN: 0167-7322
eISSN: 1873-3166
DOI: https://doi.org/10.1016/j.molliq.2016.08.114
Abstract
Experimental ultraviolet photoelectron spectra of [EMIM][BF4] molecules were recorded and analyzed. The low binding energy tail of the HOMO peak in the UPS spectrum is about 7.5 eV, in agreement with previous estimations of the liquid phase HOMO-LUMO gap. These gas-phase spectra reveal detailed information about the electronic structure of the molecules of this common ionic liquid and enable comparison with ab initio calculation methods like density functional theory (DFT) and Moller-Plesset perturbation theory (MP2). The ab initio calculations are able to explain most of the features in the spectra. (C) 2016 Elsevier B.V. All rights reserved.
Experimental ultraviolet photoelectron spectra of [EMIM][BF4] molecules were recorded and analyzed. The low binding energy tail of the HOMO peak in the UPS spectrum is about 7.5 eV, in agreement with previous estimations of the liquid phase HOMO-LUMO gap. These gas-phase spectra reveal detailed information about the electronic structure of the molecules of this common ionic liquid and enable comparison with ab initio calculation methods like density functional theory (DFT) and Moller-Plesset perturbation theory (MP2). The ab initio calculations are able to explain most of the features in the spectra. (C) 2016 Elsevier B.V. All rights reserved.
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