Please use this identifier to cite or link to this item: http://repositorio.unifesp.br/handle/11600/30669
Title: Shielding of ionic interactions by sulfur dioxide in an ionic liquid
Authors: Siqueira, Leonardo J. A.
Ando, Romulo A.
Bazito, Fernanda F. C. [UNIFESP]
Torresi, Roberto M.
Santos, Paulo S.
Ribeiro, Mauro C. C.
Universidade de São Paulo (USP)
Universidade Federal de São Paulo (UNIFESP)
Issue Date: 22-May-2008
Publisher: Amer Chemical Soc
Citation: Journal of Physical Chemistry B. Washington: Amer Chemical Soc, v. 112, n. 20, p. 6430-6435, 2008.
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).
URI: http://repositorio.unifesp.br/handle/11600/30669
ISSN: 1520-6106
Other Identifiers: http://dx.doi.org/10.1021/jp800665y
Appears in Collections:Em verificação - Geral

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