Literature DB >> 16571025

Solvatochromic parameters for binary mixtures of 1-(1-butyl)-3-methylimidazolium tetrafluoroborate with some protic molecular solvents.

Ali Reza Harifi-Mood1, Aziz Habibi-Yangjeh, Mohammed Reza Gholami.   

Abstract

The solvatochromic parameters (ET(N), normalized polarity parameter; pi*, dipolarity/polarizability; beta, hydrogen-bond acceptor basicity; alpha, hydrogen-bond donor acidity) were determined for binary solvent mixtures of 1-(1-butyl)-3-methylimidazolium tetrafluoroborate ([bmim]BF4) with water, methanol, and ethanol at 25 degrees C over the whole range of mole fractions. In nonaqueous solutions, the value of the mixture increases with mole the fraction of [bmim]BF4 and then decreases gradually to the value of pure [bmim]BF4. Positive deviation from ideal behavior was observed for the solvent parameters ET(N), pi*, and alpha, whereas the deviation of the beta parameter is negative. The applicability of the combined nearly ideal binary solvent/Redlich-Kister equation for the correlation of various solvatochromic parameters with solvent composition was proved too for the first time. This equation provides a simple computational model to correlate and/or predict various solvatochromic parameters for many binary solvent systems. The correlation between the calculated and the experimental values of various parameters was in accordance with this model. Solute-solvent and solvent-solvent interactions have been applied for interpretation of the results.

Entities:  

Year:  2006        PMID: 16571025     DOI: 10.1021/jp0602373

Source DB:  PubMed          Journal:  J Phys Chem B        ISSN: 1520-5207            Impact factor:   2.991


  3 in total

1.  Theoretical study on the interactions between methanol and imidazolium-based ionic liquids.

Authors:  Xueying Zhu; Hui Sun; Dongju Zhang; Chengbu Liu
Journal:  J Mol Model       Date:  2010-12-03       Impact factor: 1.810

2.  Probing the microscopic aspects of 1-butyl-3-methylimidazolium trifluoroacetate ionic liquid and its mixture with water and methanol: a photophysical and theoretical (DFT) study.

Authors:  Sudhir Kumar Das; Prabhat Kumar Sahu; Moloy Sarkar
Journal:  J Fluoresc       Date:  2013-06-29       Impact factor: 2.217

3.  Electronic and solvent effects on kinetics of SNAr substitution reactions of substituted anilines with 2,6-bis(trifluoromethanesulfonyl)-4-nitroanisole in MeOH-Me2SO mixtures of varying composition: one reaction with two mechanistic pathways.

Authors:  Nizar El Guesmi; Guillaume Berionni; Basim H Asghar
Journal:  Monatsh Chem       Date:  2013-07-12       Impact factor: 1.451

  3 in total

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