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Title: | Raman and ab initio study of the conformational isomerism in the 1-ethyl-3-methyl-imidazolium bis(trifluoromethanesulfonyl)imide ionic liquid |
Authors: | Lassegues, J.C. Grondin, J. Holomb, R.M. Johansson, P. |
Keywords: | trifluoromethanesulfonyl, (EMI+)TFSI− ionic liquid |
Issue Date: | 2007 |
Abstract: | The calculated and experimental Raman spectra of the (EMI+)TFSI− ionic liquid, where EMI+ is the 1-ethyl-3-methylimidazolium cation and TFSI− the bis(trifluoromethanesulfonyl)imide anion, have been investigated for a better understanding of the EMI+ and TFSI− conformational isomerism as a function of temperature. Characteristic Raman lines of the planar (p) and non-planar (np) EMI+ conformers are identified using the reference (EMI+)Br− salt. The anion conformer of C2 symmetry is confirmed to be more stable than the cis (C1) one by 4.5± 0.2 kJ mol−1. At room temperature, the population of trans (C2) anions and np cations is 75± 2% and 87± 4%, respectively. |
Type: | Text |
Publication type: | Стаття |
URI: | https://dspace.uzhnu.edu.ua/jspui/handle/lib/4424 |
Appears in Collections: | Наукові публікації кафедри інформаційних управляючих систем та технологій |
Files in This Item:
File | Description | Size | Format | |
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12_JRamanSpectr-2007.pdf | Стаття | 338.63 kB | Adobe PDF | View/Open |
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