Ionic liquid structure: the conformational isomerism in 1-butyl-3-methyl-imidazolium tetrafluoroborate ([bmim][BF4])
Artikel i vetenskaplig tidskrift, 2008

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.


Roman Holomb

Chalmers, Teknisk fysik

Anna Martinelli

Chalmers, Teknisk fysik, Kondenserade materiens fysik

Ingvar Albinsson

Göteborgs universitet

Jean-Claude Lassegues

Université de Bordeaux

Patrik Johansson

Chalmers, Teknisk fysik, Kondenserade materiens fysik

Per Jacobsson

Chalmers, Teknisk fysik, Kondenserade materiens fysik

Journal of Raman Spectroscopy

0377-0486 (ISSN) 1097-4555 (eISSN)

Vol. 39 7 793-805


Annan teknik


Den kondenserade materiens fysik



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