Using new solvatochromic parameters to investigate dye–solvent interactions

Solvatochromic behaviours of triazine substituted dyes were evaluated using a novel approach derived from the red shift index (RsI) and associated solvation energy (ASE). These parameters used to describe trends dye–solvent interactions based on their polarity changes. The concept demonstrates effect substituent changes scaffold induced solvent as solvated go through HOMO–LUMO (highest occupied molecular orbital-lowest uncopied orbital) phases. Primarily, these phases characterised by evaluating wavelength absorption emission spectra in different solvents, which, conjunction with recently reported computational approaches, provides well-adjusted model for predicting between dye (solute) solvent. Based results this study, predictive solvents can be empirically monitored both ground excited states. Moreover, solvatochromic extended evaluate dyes.