Study of complex formation between β-cyclodextrin and benzene

In this work study of complex formation of β-cyclodextrin with benzene was performed both experimentally and theoretically. Interaction of benzene with β -cyclodextrin in aqueous solutions was investigated by means of UV spectroscopy at temperatures in the range 291–303 K. The stoichiometric composi...

Full description

Saved in:
Bibliographic Details
Published in:Journal of Inclusion Phenomena and Macrocyclic Chemistry 2011-04, Vol.69 (3-4), p.371-375
Main Authors: Trofymchuk, I. M., Belyakova, L. A., Grebenyuk, A. G.
Format: Article
Language:English
Subjects:
Chemistry
Chemistry and Materials Science
Crystallography and Scattering Methods
Food Science
Organic Chemistry
Original Article
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:In this work study of complex formation of β-cyclodextrin with benzene was performed both experimentally and theoretically. Interaction of benzene with β -cyclodextrin in aqueous solutions was investigated by means of UV spectroscopy at temperatures in the range 291–303 K. The stoichiometric composition, stability constant, and thermodynamic parameters of “ β -cyclodextrin-benzene” supramolecular structures formation were calculated from spectroscopic data. It was proved that 1:1 inclusion complex is mainly formed in aqueous solutions. The calculations of a spatial structure, formation energy, and vibration spectra in IR range for the complex of β -cyclodextrin with benzene were performed by Hartree–Fock–Roothaan method within PM3 semiempirical approximation with quantum chemistry package GAMESS (version 6.4). The calculated energy parameters for “ β -cyclodextrin-benzene” inclusion complex are in agreement with experimental data.
ISSN:0923-0750
1573-1111
DOI:10.1007/s10847-010-9757-9