Preparation and characterizations of solid/aqueous phases inclusion complex of 2,4-dinitroaniline with β-cyclodextrin

The formation of host–guest inclusion complex of 2,4-dinitroaniline (2,4-DNA) with nano-hydrophobic cavity of β-cyclodextrin (β-CD) in solution phase were studied by UV–visible spectrophotometer and electrochemical method (Cyclic Voltammetry, CV). The prototropic behaviors of 2,4-DNA with and without β-CD was studied by spectrophotometrically. The binding constant of the inclusion complex at 303 K was calculated using Benesi–Hildebrand plot and thermodynamic parameter (ΔG) were also calculated. The inclusion complex formation between β-CD and 2,4-DNA was confirmed by 1H NMR, 2D ROESY NMR, FT-IR, XRD and SEM analysis. The 2,4-DNA:β-CD inclusion complex was obtained by molecular docking studies and it was good correlation with the results obtained through experimental methods.