A test of the role of refractive index in correlations between solvent effects on electronic spectra and solvent effects on reaction equilibria and rates

1984 ◽  
Vol 49 (10) ◽  
pp. 2332-2341 ◽  
Author(s):  
Vojtěch Bekárek

80 correlations have been carried out between the medium-induced changes in equilibrium and kinetic data (Y) and the medium-induced changes in positions of maxima in electronic (both absorption and fluorescence) spectra (Δν) of the Kamlet-Taft type indicators. The correlations have been carried out by means of the equations Y=Y0 + k . Δν and Y=Y0 + k' . Δν/f(n2) using only the Kamlet-Taft select solvents (SSS). The equation involving the function of refreactive index (n), f(n2) = (n2 - 1)/(2n2 + 1), is better than the simple relation between Y and Δν in 93% of the systems studied. The problem of HBD acidity of nitromethane and the relation of the A and B solvent characteristics by Swain and the characteristics of dipolarity of medium by Kamlet-Taft are discussed.

1982 ◽  
Vol 47 (4) ◽  
pp. 1060-1068 ◽  
Author(s):  
Vojtěch Bekárek ◽  
Jan Juřina

Dependence of ET(30) of solvent parameters on relative permittivity (ε) and refractive index (n) of solvent has been found for forty solvents in the form ET(30)=29.87 + 72.03 (ε - 1/(2ε + 1)-29.16(ε - 1) (n 2 - 1)/(2ε + 1) (2n2 + 1), the correlation coefficient being 0.958. Relation has been discussed between ET(30) and π solvent parameters and significance of the term (ε - 1). (n2 - 1)/(2ε + 1) (2n2 + 1) has been tested for evaluation of solvent effects in electronic spectra.>


2007 ◽  
Vol 83 (3) ◽  
pp. 595-599 ◽  
Author(s):  
Thomas Gustavsson ◽  
Nilmoni Sarkar ◽  
Ákos Bányász ◽  
Dimitra Markovitsi ◽  
Roberto Improta

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