Molecular Crystals and Liquid Crystals, Vol.427, 557-570, 2005
Environmentally induced H-bond transformation as a source of anil-type molecule specific solvatochromy
The absorption, luminescence and excitation spectra of N-triphenylmethylsalicylideneimine at room temperature has been studied in pure isooctan cis well cis in acetonitrile and methanol solutions in the presence of varying amounts of acid or base by steady-state experiments. The molecular solvatochromy call. be explained by considering the environmentally induced H-bond transformation. Experimental data, was supported), theoretical consideration. Ab initio methods (LCAO MO SCF) are employed to investigate the "solvent assisted." proton, transfer reaction in the ground electronic state. N-salicylidene methylamine was chosen as a model molecule. The relative stability of model molecule binding of 1, 2 and 4 methanol molecules and the mechanism, of the proton transfer reaction are discussed. Analysis of the spectra together with the results of quantum chemical calculations related to different species active in the ground electronic state allows to state of the solution equilibrium of the molecule tested.