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

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

Author Costa, Luciano T. Google Scholar
Siqueira, Leonardo J. A. Autor UNIFESP Google Scholar
Nicolau, Bruno G. Google Scholar
Ribeiro, Mauro C. C. Google Scholar
Institution Universidade de São Paulo (USP)
Univ Fed Alfenas
Universidade Federal de São Paulo (UNIFESP)
Abstract 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.
Keywords Raman spectroscopy
Polymer electrolyte
Ionic liquid
DFT
Language English
Date 2010-11-18
Published in Vibrational Spectroscopy. Amsterdam: Elsevier B.V., v. 54, n. 2, p. 155-158, 2010.
ISSN 0924-2031 (Sherpa/Romeo, impact factor)
Publisher Elsevier B.V.
Extent 155-158
Origin http://dx.doi.org/10.1016/j.vibspec.2010.09.001
Access rights Closed access
Type Article
Web of Science ID WOS:000285531400015
URI http://repositorio.unifesp.br/handle/11600/33086

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