Spectroscopic and electrochemical studies on the interaction of an inclusion complex of β-cyclodextrin with 2,6-dinitrophenol in aqueous and solid phases

The inclusion complex of 2,6-dinitrophenol (2,6-DNP) with β-cyclodextrin (β-CD) in solution phase was studied by UV–visible spectrophotometer and electrochemical (cyclic voltammetry) methods. The prototropic behaviors of 2,6-DNP were studied. The binding constant of ‘β-CD:2,6-DNP’ inclusion complex was calculated using Benesi–Hildebrand plot at 303 K. Thermodynamic parameter (ΔG) involved in the complex formation also calculated. It indicates that the reaction is spontaneous and exergonic process. Formation of solid inclusion complex between β-CD and 2,6-DNP was characterized by 1H NMR, FT-IR, XRD techniques and SEM morphological studies. The β-CD:2,6-DNP inclusion complex obtained by molecular docking studies is in good correlation with the results obtained through experimental methods.

► Photophysical and electrochemical studies plays a major role in the host-guest inclusion complex process. ► The binding constants and thermodynamic parameters were calculated. ► Solid complex characterized by 1H NMR, FT-IR, XRD and SEM techniques. ► The structure of inclusion complex proposed by molecular docking study.