Shielding of ionic interactions by sulfur dioxide in an ionic liquid

Shielding of ionic interactions by sulfur dioxide in an ionic liquid

Author Siqueira, Leonardo J. A. Google Scholar
Ando, Romulo A. Google Scholar
Bazito, Fernanda F. C. Autor UNIFESP Google Scholar
Torresi, Roberto M. Google Scholar
Santos, Paulo S. Google Scholar
Ribeiro, Mauro C. C. Google Scholar
Institution Universidade de São Paulo (USP)
Universidade Federal de São Paulo (UNIFESP)
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).
Language English
Date 2008-05-22
Published in Journal of Physical Chemistry B. Washington: Amer Chemical Soc, v. 112, n. 20, p. 6430-6435, 2008.
ISSN 1520-6106 (Sherpa/Romeo, impact factor)
Publisher Amer Chemical Soc
Extent 6430-6435
Origin http://dx.doi.org/10.1021/jp800665y
Access rights Closed access
Type Article
Web of Science ID WOS:000255905200023
URI http://repositorio.unifesp.br/handle/11600/30669

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