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Ionic liquid structure: the conformational isomerism in 1-butyl-3-methyl-imidazolium tetrafluoroborate ([bmim][BF4])

Roman Holomb (Institutionen för teknisk fysik) ; Anna Martinelli (Institutionen för teknisk fysik, Kondenserade materiens fysik) ; Ingvar Albinsson ; Jean-Claude Lassegues ; Patrik Johansson (Institutionen för teknisk fysik, Kondenserade materiens fysik) ; Per Jacobsson (Institutionen för teknisk fysik, Kondenserade materiens fysik)
Journal of Raman Spectroscopy (0377-0486). Vol. 39 (2008), 7, p. 793-805.
[Artikel, refereegranskad vetenskaplig]

As a probe of local structure, the vibrational properties of the 1-butyl-3-methylimidazolium tetrafluoroborate [bmim][BF4] ionic liquid were 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.

Denna post skapades 2008-12-09. Senast ändrad 2016-08-22.
CPL Pubid: 80577


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