| dc.contributor.author | Costa, Luciano T. | |
| dc.contributor.author | Siqueira, Leonardo J. A. [UNIFESP] | |
| dc.contributor.author | Nicolau, Bruno G. | |
| dc.contributor.author | Ribeiro, Mauro C. C. | |
| dc.date.accessioned | 2016-01-24T14:05:42Z | |
| dc.date.available | 2016-01-24T14:05:42Z | |
| dc.date.issued | 2010-11-18 | |
| dc.identifier | http://dx.doi.org/10.1016/j.vibspec.2010.09.001 | |
| dc.identifier.citation | Vibrational Spectroscopy. Amsterdam: Elsevier B.V., v. 54, n. 2, p. 155-158, 2010. | |
| dc.identifier.issn | 0924-2031 | |
| dc.identifier.uri | http://repositorio.unifesp.br/handle/11600/33086 | |
| dc.description.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. | en |
| dc.format.extent | 155-158 | |
| dc.language.iso | eng | |
| dc.publisher | Elsevier B.V. | |
| dc.relation.ispartof | Vibrational Spectroscopy | |
| dc.rights | Acesso restrito | |
| dc.subject | Raman spectroscopy | en |
| dc.subject | Polymer electrolyte | en |
| dc.subject | Ionic liquid | en |
| dc.subject | DFT | en |
| dc.title | Raman spectra of polymer electrolytes based on poly(ethylene glycol) dimethyl ether, lithium perchlorate, and the ionic liquid 1-butyl-3-methylimidazolium hexafluorophosphate | en |
| dc.type | Artigo | |
| dc.rights.license | http://www.elsevier.com/about/open-access/open-access-policies/article-posting-policy | |
| dc.contributor.institution | Universidade de São Paulo (USP) | |
| dc.contributor.institution | Univ Fed Alfenas | |
| dc.contributor.institution | Universidade Federal de São Paulo (UNIFESP) | |
| dc.description.affiliation | Univ São Paulo, Inst Quim, Lab Espectroscopia Mol, BR-05513970 São Paulo, Brazil | |
| dc.description.affiliation | Univ Fed Alfenas, Dept Ciencias Exatas, BR-37130000 Alfenas, MG, Brazil | |
| dc.description.affiliation | Universidade Federal de São Paulo, Inst Ciencias Ambientais Quim & Farmaceut, Lab Mat Hibridos, BR-04042002 São Paulo, Brazil | |
| dc.description.affiliationUnifesp | Universidade Federal de São Paulo, Inst Ciencias Ambientais Quim & Farmaceut, Lab Mat Hibridos, BR-04042002 São Paulo, Brazil | |
| dc.identifier.doi | 10.1016/j.vibspec.2010.09.001 | |
| dc.description.source | Web of Science | |
| dc.identifier.wos | WOS:000285531400015 | |
