Chemical Physics Letters, Vol.531, 242-246, 2012
Negative solvatochromism of a series of pyridinium phenolate betaine dyes with increasing steric hindrance
The negative solvatochromism of a series of pyridinium phenolates betaine dyes is investigated using three approaches: (a) empirical, based on the empirical solvent polarity parameter E-T(30); (b) semi-empirical, based on the pi*, alpha, beta set of parameters used in Kamlet-Taft's Solvatochromic Comparison Method (SCM); and (c) physical, by means of the Onsager reaction-field model of solvents. Comparison of the obtained correlations underscored the roles of both the two tert-butyl groups ortho to the oxygen atom and the interplanar angle between the phenyl rings on the very blue shifts observed as the polarity increases. (C) 2012 Elsevier B.V. All rights reserved.