%0 Journal Article
%T FTIR AND MOLECULAR MODELING STUDY OF THE INTERACTION BETWEEN b-CYCLODEXTRIN AND POLYCHLOROBIPHENYLS
%A Ioana Stanculescu
%A Iuliana Dobrica
%A Cristina Mandravel
%A Georgiana Mindrila
%J Analele Universitatii Bucuresti : Chimie
%D 2010
%I 
%X 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 ¦Â-cyclodextrin (¦Â-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 ¦Â-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-¦Â-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.
%K PCB¡¯s
%K cyclodextrin
%K FTIR
%K interaction
%K molecular modeling
%U http://gw-chimie.math.unibuc.ro/anunivch/2010-2/AUBCh1924752.pdf