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Spectroscopic characterization of the conformational states of the bis(trifluoromethanesulfonyl)imide anion (TFSI-). / Herstedt, M.; Smirnov, M.; Johansson, P.; Chami, M.; Grondin, J.; Servant, L.; Lassègues, J. C.

In: Journal of Raman Spectroscopy, Vol. 36, No. 8, 08.2005, p. 762-770.

Research output: Contribution to journal › Article › peer-review

Harvard

Herstedt, M, Smirnov, M, Johansson, P, Chami, M, Grondin, J, Servant, L & Lassègues, JC 2005, 'Spectroscopic characterization of the conformational states of the bis(trifluoromethanesulfonyl)imide anion (TFSI-)', Journal of Raman Spectroscopy, vol. 36, no. 8, pp. 762-770. https://doi.org/10.1002/jrs.1347

APA

Herstedt, M., Smirnov, M., Johansson, P., Chami, M., Grondin, J., Servant, L., & Lassègues, J. C. (2005). Spectroscopic characterization of the conformational states of the bis(trifluoromethanesulfonyl)imide anion (TFSI-). Journal of Raman Spectroscopy, 36(8), 762-770. https://doi.org/10.1002/jrs.1347

Vancouver

Herstedt M, Smirnov M, Johansson P, Chami M, Grondin J, Servant L et al. Spectroscopic characterization of the conformational states of the bis(trifluoromethanesulfonyl)imide anion (TFSI-). Journal of Raman Spectroscopy. 2005 Aug;36(8):762-770. https://doi.org/10.1002/jrs.1347

Author

Herstedt, M. ; Smirnov, M. ; Johansson, P. ; Chami, M. ; Grondin, J. ; Servant, L. ; Lassègues, J. C. / Spectroscopic characterization of the conformational states of the bis(trifluoromethanesulfonyl)imide anion (TFSI-). In: Journal of Raman Spectroscopy. 2005 ; Vol. 36, No. 8. pp. 762-770.

BibTeX

@article{0e322fde47534ef092ad475cf29f451b,
title = "Spectroscopic characterization of the conformational states of the bis(trifluoromethanesulfonyl)imide anion (TFSI-)",
abstract = "Ab initio calculations were combined with infrared and Raman studies to distinguish spectroscopically the two conformers of the bis(trifluoromethanesulfonyl)imide anion, (TFSI-). Spectra of crystalline LiTFSI complexes with organic ligands, where the anion adopts a known conformational state, are presented to confirm the calculated spectra. Several regions are identified where either the infrared or the Raman spectra contain separate bands for the two conformers. The conformational equilibrium between the transoid and cisoid rotamers is then illustrated from the infrared spectra of solutions of LiTFSI in aprotic solvents. The transoid form is found to be more stable than the cisoid form by about 2.2 kJ mol-1, in good agreement with the present and earlier theoretical predictions. It is also shown that the IR and Raman spectral changes coming from conformational isomerism have to be carefully distinguished from those due to ionic interactions.",
keywords = "Bis(trifluoromethanesulfonyl)imide, Conformation, Vibrational spectroscopy",
author = "M. Herstedt and M. Smirnov and P. Johansson and M. Chami and J. Grondin and L. Servant and Lass{\`e}gues, {J. C.}",
note = "Copyright: Copyright 2018 Elsevier B.V., All rights reserved.",
year = "2005",
month = aug,
doi = "10.1002/jrs.1347",
language = "English",
volume = "36",
pages = "762--770",
journal = "Journal of Raman Spectroscopy",
issn = "0377-0486",
publisher = "Wiley-Blackwell",
number = "8",

}

RIS

TY - JOUR

T1 - Spectroscopic characterization of the conformational states of the bis(trifluoromethanesulfonyl)imide anion (TFSI-)

AU - Herstedt, M.

AU - Smirnov, M.

AU - Johansson, P.

AU - Chami, M.

AU - Grondin, J.

AU - Servant, L.

AU - Lassègues, J. C.

N1 - Copyright: Copyright 2018 Elsevier B.V., All rights reserved.

PY - 2005/8

Y1 - 2005/8

N2 - Ab initio calculations were combined with infrared and Raman studies to distinguish spectroscopically the two conformers of the bis(trifluoromethanesulfonyl)imide anion, (TFSI-). Spectra of crystalline LiTFSI complexes with organic ligands, where the anion adopts a known conformational state, are presented to confirm the calculated spectra. Several regions are identified where either the infrared or the Raman spectra contain separate bands for the two conformers. The conformational equilibrium between the transoid and cisoid rotamers is then illustrated from the infrared spectra of solutions of LiTFSI in aprotic solvents. The transoid form is found to be more stable than the cisoid form by about 2.2 kJ mol-1, in good agreement with the present and earlier theoretical predictions. It is also shown that the IR and Raman spectral changes coming from conformational isomerism have to be carefully distinguished from those due to ionic interactions.

AB - Ab initio calculations were combined with infrared and Raman studies to distinguish spectroscopically the two conformers of the bis(trifluoromethanesulfonyl)imide anion, (TFSI-). Spectra of crystalline LiTFSI complexes with organic ligands, where the anion adopts a known conformational state, are presented to confirm the calculated spectra. Several regions are identified where either the infrared or the Raman spectra contain separate bands for the two conformers. The conformational equilibrium between the transoid and cisoid rotamers is then illustrated from the infrared spectra of solutions of LiTFSI in aprotic solvents. The transoid form is found to be more stable than the cisoid form by about 2.2 kJ mol-1, in good agreement with the present and earlier theoretical predictions. It is also shown that the IR and Raman spectral changes coming from conformational isomerism have to be carefully distinguished from those due to ionic interactions.

KW - Bis(trifluoromethanesulfonyl)imide

KW - Conformation

KW - Vibrational spectroscopy

UR - http://www.scopus.com/inward/record.url?scp=24044472699&partnerID=8YFLogxK

U2 - 10.1002/jrs.1347

DO - 10.1002/jrs.1347

M3 - Article

AN - SCOPUS:24044472699

VL - 36

SP - 762

EP - 770

JO - Journal of Raman Spectroscopy

JF - Journal of Raman Spectroscopy

SN - 0377-0486

IS - 8

ER -

ID: 73027931