FTIR AND MOLECULAR MODELING STUDY OF THE INTERACTION BETWEEN b-CYCLODEXTRIN AND POLYCHLOROBIPHENYLS

The production of polychlorobiphenyls (PCB’s) is forbidden but they are found frequently in different environmental compartment due to their high stability. In this paper the interaction between β-cyclodextrin (β-CD), a chiral selector, and a mixture of PCB’s, extracted from transformer oil, with 3 to 8 chlorine atoms was studied by FTIR spectrometry. The spectra of β-cyclodextrin in solid state obtained by KBr pellets technique and in saturated aqueous solutions obtained using CaF2 windows (1,5 10-3 M), of PCB’s mixture in C6H3Cl3 solution and the spectra of different phases of ternary PCB-C6H3Cl3-H2O and quaternary PCB-C6H3Cl3-β-CD-H2O systems were examined. The interaction was evidenced after changes in intensity of C=C vibrations band with maximum positioned at 1647.90, 1645.90 cm-1 Limits of the study due to work conditions are discussed. Molecular modeling offered information on the stability of the complexes.