A spectroscopic and structural characterization of the inclusion complexes of p-dimethylaminobenzonitrile with cyclodextrins

Abstract
The absorption and induced circular dichroism (icd) spectra of the α-CD:DMABN system in water solution at 20 °C evidenced the presence of 1∶1 and 2∶1 complexes. The β-CD:DMABN system was found to be characterized by 1∶1 and 2∶2 associates. The association constants and the absolute absorption and icd spectra of each species were determined. The structure of the complexes was determined by dynamic Monte Carlo (DMC) calculations including solvation effects and induced circular dichroism calculations.

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