FTIR AND MOLECULAR MODELING STUDY OF THE INTERACTION BETWEEN b-CYCLODEXTRIN AND POLYCHLOROBIPHENYLS
Journal Title: Analele Universitatii din Bucuresti. Chimie - Year 2010, Vol 19, Issue 2
Abstract
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 (1,510-3 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.
Authors and Affiliations
Ioana Stanculescu, Iuliana Dobrica, Cristina Mandravel, Georgiana Mindrila
Keywords
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