Spectral, electrochemical and docking studies of 5-indanol:β-CD inclusion complex

摘要

Inclusion complex of 5-indanol with β-cyclodextrin (β-CD) has been investigated by ultraviolet (UV) spectroscopy and cyclic voltammetry (CV) techniques. The red shift in λ_(max) and enhanced absorption in β-CD medium confirm the cyclopentene ring present in the interior part of β-CD and -OH group containing benzene ring in the upper part of the β-CD cavity. The formation of complex has been confirmed by Benesi-Hildebrand plot obtained from the results of UV and CV studies. The pK a values of prototropic species, stability constant K1:1 and the thermodynamic parameters (ΔG, ΔH and ΔS) of inclusion process were determined. The results indicated that the inclusion process was an exergonic and spontaneous process. The solid 5-indanol:β-CD complex was investigated by fourier transform infrared spectroscopy, nuclear magnetic resonance, X-ray diffraction and scanning electron microscope methods. The 5-indanol:β-CD inclusion complex obtained by docking studies was in good correlation with the results obtained through experimental methods.