Study of inclusion complex between 2,6-dinitrobenzoic acid and β-cyclodextrin by 1H NMR, 2D 1H NMR (ROESY), FT-IR, XRD, SEM and photophysical methods.
The formation of host-guest inclusion complex of 2,6-dinitrobenzoic acid (2,6-DNB) with nano-hydrophobic cavity of β-cyclodextrin (β-CD) in solution phase has been studied by UV-visible spectroscopy and electrochemical analysis (cyclic voltammetry, CV). The effect of acid-base concentrations of 2,6-DNB has been studied in presence and absence of β-CD to determination for the ground state acidity constant (pKa). The binding constant of inclusion complex at 303 K was calculated using Benesi-Hildebrand plot and thermodynamic parameter (ΔG) was also calculated. The solid inclusion complex formation between β-CD and 2,6-DNB was confirmed by 1H NMR, 2D 1H NMR (ROESY), FT-IR, XRD and SEM analysis. A schematic representation of this inclusion process was proposed by molecular docking studies using patch dock server.
School of Chemical Sciences, Department of Industrial Chemistry, Alagappa University, Karaikudi 630 003, Tamil Nadu, India.
Krishnan
K
Srinivasan
School of Chemical Sciences, Department of Industrial Chemistry, Alagappa University, Karaikudi 630 003, Tamil Nadu, India. Electronic address: tstalinphd@rediffmail.com.
Thambusamy
T
Stalin
D019817:Benzoic Acid / Q000737:chemistry*; D004563:Electrochemistry; D004573:Electrolytes; D006863:Hydrogen-Ion Concentration; D009682:Magnetic Resonance Spectroscopy; D008855:Microscopy, Electron, Scanning; D008968:Molecular Conformation; D062105:Molecular Docking Simulation; D009579:Nitrobenzoates / Q000737:chemistry*; D009844:Oligosaccharides / Q000737:chemistry; D010084:Oxidation-Reduction; D010777:Photochemistry; D066244:Proton Magnetic Resonance Spectroscopy; D013053:Spectrophotometry; D017550:Spectroscopy, Fourier Transform Infrared; D013816:Thermodynamics; D014961:X-Ray Diffraction; D047392:beta-Cyclodextrins / Q000737:chemistry*
D004573:Electrolytes; D009579:Nitrobenzoates; D009844:Oligosaccharides; D047392:beta-Cyclodextrins; D019817:Benzoic Acid; C031215:betadex
2,6-Dinitrobenzoic acid; 2D (1)H NMR (ROESY); Inclusion complex; β-Cyclodextrin