LAUSR

Abstract The charge transfer interaction between 1-(2-Thiazolylazo)-2-naphthol ( TAN ) and aromatic nitro compounds were studied spectroscopically in methanol. These experimental and theoretical works inspect the natural history of charge-transfer interactions that contribute an imperative role in chemistry and biological science. Formation of 1:1 synthesized charge transfer (CT) complex was investigated by the different technique such as FT-IR, 1 H NMR, Uv–visible spectroscopy, and elemental analysis which indicates the presence of a proton transfer interaction between donor and acceptor moieties. Spectroscopic studies of CT complexes were carried out in methanol to estimate various important parameters such resonance energy ( R N ), oscillator strength ( f ), transition dipole moment ( μ EN ). 1 H NMR and FT-IR spectroscopy and elemental analysis were used for further analysis of the solid complex where both hydrogen bond and charge-transfer were evident in its molecular composition. The experimental results were complemented by quantum chemical calculations at DFT/B3LYP level of theory. It has been recognized that formation of the synthesized complex arises from charge transfer and hydrogen bonding interactions in the complex constitution.