Raman spectra of polymer electrolytes based on poly(ethylene glycol) dimethyl ether, lithium perchlorate, and the ionic liquid 1-butyl-3-methylimidazolium hexafluorophosphate

Date
2010-11-18Author
Costa, Luciano T.
Siqueira, Leonardo J. A. [UNIFESP]
Nicolau, Bruno G.
Ribeiro, Mauro C. C.
Type
ArtigoISSN
0924-2031Is part of
Vibrational SpectroscopyDOI
10.1016/j.vibspec.2010.09.001Metadata
Show full item recordAbstract
Raman spectra of polymer electrolytes based on poly(ethylene glycol) dimethyl ether (PEGdME) with LiClO(4), PEGdME/LiClO(4), and the ionic liquid 1-butyl-3-methylimidazolium hexafluorophosphate, PEGdME/[bmim]PF(6), are compared. Raman spectroscopy suggests stronger interactions in PEGdME/LiClO(4) than PEGdmE/[bmim]PF(6), thus corroborating previous results obtained by molecular dynamics simulations. Quantum Chemistry methods have been used to calculate vibrational frequencies and the equilibrium structure of segments of the polymer chain around the cation. A consistent picture has been obtained from Raman spectroscopy, density functional theory (DFT) calculations, and molecular dynamics simulations for these polymer electrolytes. (C) 2010 Elsevier B.V. All rights reserved.
Citation
Vibrational Spectroscopy. Amsterdam: Elsevier B.V., v. 54, n. 2, p. 155-158, 2010.Collections
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