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Spectroscopic identification of the lithium ion transporting species in LiTFSI-doped ionic liquids

Patrik Johansson (Institutionen för teknisk fysik, Kondenserade materiens fysik)
Journal of Physical Chemistry A (1089-5639). Vol. 113 (2009), 1, p. 305-314.
[Artikel, refereegranskad vetenskaplig]

The solvation of the lithium ion in LiTFSI-doped ionic liquids based on alkyl-substituted imidazolium cations and bis(trifluoromethanesulfonyl)imide anions (TFSI∼) was investigated by infrared and Raman spectroscopies. The spectral changes occurring for some TFSI-vibrations sensitive to the lithium coordination were analyzed with the help of DFT calculations. In addition, the vibrations of the lithium ion in its solvating cage were found to produce a broad IR absorption band centered at 374 cm-1. For low1 to moderate LïTFSI mole fractions, 0.08 < × < 0.2, the [Li(TFSI) 2]- solvating cage was found to involve bidentate coordinations of Li+ with two oxygen atoms of one anion in the trans (C2) conformation and two oxygen atoms of the other anion in the cis (C1) conformation. At higher LiTFSI concentration, up to × - 0.5, the lithium ion-TFSI coordination number progressively becomes less than 2, indicating the possible formation of aggregates.



Denna post skapades 2010-01-08. Senast ändrad 2014-12-09.
CPL Pubid: 105875

 

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Institutioner (Chalmers)

Institutionen för teknisk fysik, Kondenserade materiens fysik (1900-2015)

Ämnesområden

Den kondenserade materiens fysik

Chalmers infrastruktur