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 beta-cyclodextrin (beta-CD) in solution phase was studied by UV-visible spectrophotometer and electrochemical (cyclic voltammetry) methods. The proto-tropic behaviors of 2,6-DNP were studied. The binding constant of 'beta-CD:2,6-DNP' inclusion complex was calculated using Benesi-Hildebrand plot at 303 K. Thermodynamic parameter (Delta G) involved in the complex formation also calculated. It indicates that the reaction is spontaneous and exergonic process. Formation of solid inclusion complex between beta-CD and 2,6-DNP was characterized by H-1 NMR, FT-IR, XRD techniques and SEM morphological studies. The beta-CD:2,6-DNP inclusion complex obtained by molecular docking studies is in good correlation with the results obtained through experimental methods. (C) 2012 Elsevier B.V. All rights reserved.