Determination of inductive effect parameter of methyl group from trends in fluorescence maxima of some charge-transfer complexes of N-ethyltetrachlorophthalimide with methyl benzenes and methoxybenzenes using graph theoretical technique

Abstract

From trends in fluorescence maxima (hv_CT(f)) of charge transfer complexes of N-ethyltetrachlorophthalimide with methylbenzenes and methoxybenzenes the inductive effect PMO parameter of the methyl group has been calculated using Coulson-Longuet-Higgins perturbation theory. For complexes of methylbenzenes h_Me is found to be ~ 0.175 while for methoxybenzenes a value of -0.2855 has been estimated for the same. The agreement with literature data is good. The necessary perturbational coefficients and eigenvalues have been calculated using some recently developed graph theoretical techniques which reduce the entire computation to a paper-and-pencil work.