Ionic liquid structure: the conformational isomerism in 1‐butyl‐3‐methyl‐imidazolium tetrafluoroborate ([bmim][BF 4 ]) | Zendy

Holomb R. | Zendy; Martinelli A. | Zendy; Albinsson I. | Zendy; Lassègues J. C. | Zendy; Johansson P. | Zendy; Jacobsson P. | Zendy

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Ionic liquid structure: the conformational isomerism in 1‐butyl‐3‐methyl‐imidazolium tetrafluoroborate ([bmim][BF 4 ])

Author(s) -

Holomb R.,

Martinelli A.,

Albinsson I.,

Lassègues J. C.,

Johansson P.,

Jacobsson P.

Publication year - 2008

Publication title -

journal of raman spectroscopy

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.748

H-Index - 110

eISSN - 1097-4555

pISSN - 0377-0486

DOI - 10.1002/jrs.1912

Subject(s) - ionic liquid , conformational isomerism , tetrafluoroborate , raman spectroscopy , chemistry , ab initio quantum chemistry methods , infrared spectroscopy , ab initio , crystallography , ionic bonding , ion , computational chemistry , molecule , organic chemistry , catalysis , physics , optics

As a probe of local structure, the vibrational properties of the 1‐butyl‐3‐methylimidazolium tetrafluoroborate [bmim][BF 4 ] 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] + − [BF 4 ] − interactions to the vibrational spectra are discussed. Copyright © 2008 John Wiley & Sons, Ltd.

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