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Bulletin of the Korean Chemical Society (BKCS)

ISSN 0253-2964(Print)
ISSN 1229-5949(Online)
Volume 25, Number 8
BKCSDE 25(8)
August 20, 2004 

 
Title
A Model for Correlation of Various Solvatochromic Parameters with Composition in Aqueous and Organic Binary Solvent Systems
Author
Aziz Habibi-Yangjeh
Keywords
Solvatochromic parameters, Redlich-Kister equation, Correlation equation
Abstract
The applicability of the combined nearly ideal binary solvent/Redlich-Kister (CNIBS/R-K) equation for correlation of various solvatochromic parameters (SP) with composition is shown employing 84 experimental data sets for aqueous and organic binary solvent systems at temperatures ranging 15 to 75 ºC. The model provides a simple computational model to correlate/predict different SP values in various binary solvent systems. In proposed equations, MPDs (mean percentage deviations) are between 0.0500% and 6.9591% in mixtures of dimethyl sulfoxide with 2-methylpropan-2-ol and benzene with 2-methylpropan-2-ol, respectively. Correlation of the calculated and experimental values of various SP give an equation with an overall mean percentage deviation (OMPD) of 1.1900, R2 = 0.99692, s.e = 0.01223 and F = 341925.51. Approximately 70% of the calculated SP values have IPD (individual percentage deviation) lower than one and it is possible to predict unmeasured SP values by using only eight experimental data.
Page
1165 - 1170
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