2,6-Dinitroaniline and β-cyclodextrin inclusion complex properties studied by different analytical methods

The formation of supramolecular host-guest inclusion complex of 2,6-Dinitroaniline (2,6-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 2,6-DNA with and without β-CD and the ground state acidity constant (pKa) of host-guest inclusion complex (2,6-DNA-β-CD) was studied by Spectrophotometrically. The binding constant of inclusion complex at 303 K was calculated using Benesi–Hildebrand plot and thermodynamic parameter (ΔG) were also calculated. The solid inclusion complex formation between β-CD and 2,6-DNA was confirmed by 1H NMR, FT-IR, XRD and SEM analysis. The β-CD:2,6-DNA inclusion complex obtained by molecular docking studies is in good correlation with the results obtained through experimental methods.