Shielding of ionic interactions by sulfur dioxide in an ionic liquid

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dc.contributor.author Siqueira, Leonardo J. A.
dc.contributor.author Ando, Romulo A.
dc.contributor.author Bazito, Fernanda F. C. [UNIFESP]
dc.contributor.author Torresi, Roberto M.
dc.contributor.author Santos, Paulo S.
dc.contributor.author Ribeiro, Mauro C. C.
dc.date.accessioned 2016-01-24T13:51:23Z
dc.date.available 2016-01-24T13:51:23Z
dc.date.issued 2008-05-22
dc.identifier http://dx.doi.org/10.1021/jp800665y
dc.identifier.citation Journal of Physical Chemistry B. Washington: Amer Chemical Soc, v. 112, n. 20, p. 6430-6435, 2008.
dc.identifier.issn 1520-6106
dc.identifier.uri http://repositorio.unifesp.br/handle/11600/30669
dc.description.abstract The effect of adding SO(2) on the structure and dynamics of 1-butyl-3-methylimidazolium bromide (BMIBr) was investigated by low-frequency Raman spectroscopy and molecular dynamics (MD) simulations. the MD simulations indicate that the long-range structure of neat BMIBr is disrupted resulting in a liquid with relatively low viscosity and high conductivity, but strong correlation of ionic motion persists in the BMIBr-SO(2) mixture due to ionic pairing. Raman spectra within the 5 < omega < 200 cm(-1) range at low temperature reveal the short-time dynamics, which is consistent with the vibrational density of states calculated by MD simulations. Several time correlation functions calculated by MD simulations give further insights on the structural relaxation of BMIBr-SO(2). en
dc.format.extent 6430-6435
dc.language.iso eng
dc.publisher Amer Chemical Soc
dc.relation.ispartof Journal of Physical Chemistry B
dc.rights Acesso restrito
dc.title Shielding of ionic interactions by sulfur dioxide in an ionic liquid en
dc.type Artigo
dc.contributor.institution Universidade de São Paulo (USP)
dc.contributor.institution Universidade Federal de São Paulo (UNIFESP)
dc.description.affiliation Univ São Paulo, Inst Quim, BR-05513970 São Paulo, Brazil
dc.description.affiliation Universidade Federal de São Paulo, Dept Ciencias Exatas & Terra, Diadema, SP, Brazil
dc.description.affiliationUnifesp Universidade Federal de São Paulo, Dept Ciencias Exatas & Terra, Diadema, SP, Brazil
dc.identifier.doi 10.1021/jp800665y
dc.description.source Web of Science
dc.identifier.wos WOS:000255905200023



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