Please use this identifier to cite or link to this item:
https://dspace.uzhnu.edu.ua/jspui/handle/lib/4425
Title: | Ionic liquid structure: the conformational isomerism in 1-butyl-3-methyl-imidazolium tetrafluoroborate ([bmim][BF4]) |
Authors: | Holomb, R.M. Martinelli, A. Albinsson, I. |
Keywords: | ab initio calculations, [bmim][BF4] |
Issue Date: | 2008 |
Abstract: | As a probe of local structure, the vibrational properties of the 1-butyl-3-methylimidazolium tetrafluoroborate [bmim][BF4] ionic liquidwere studied by infrared (IR), Raman spectroscopy, and ab initio calculations. The coexistence of at least four [bmim]+ conformers (GG, GA, TA, and AA) at room temperature was established through unique spectral responses. The Raman modes characteristic of the two most stable [bmim]+ conformers, GA and AA, according to the ab initio calculations, increase in intensity with decreasing temperature. To assess the total spectral behavior of the ionic liquid both the contributions of different [bmim]+ conformers and the [bmim]+− [BF4]− interactions to the vibrational spectra are discussed. |
Type: | Text |
Publication type: | Стаття |
URI: | https://dspace.uzhnu.edu.ua/jspui/handle/lib/4425 |
Appears in Collections: | Наукові публікації кафедри інформаційних управляючих систем та технологій |
Files in This Item:
File | Description | Size | Format | |
---|---|---|---|---|
13_JRamanSpectr-2008.pdf | Стаття | 443.32 kB | Adobe PDF | View/Open |
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.