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

The absorption and induced circular dichroism (icd) spectra of the alpha-CD:DMABN system in water solution at 20^ C evidenced the presence of 1:1 and 2:1 complexes. The beta-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 was determined by dynamic Monte Carlo (DMC) calculations including solvation effects and induced circular dichroism calculations.