Molecular polarizability anisotropy of some five-membered cyclic imides

نویسندگان

  • V. V. Prezhdo
  • P. Kowalski
  • T. Kowalska
  • O. V. Prezhdo
  • Jan Kochanowski
چکیده

0022-2860/$ see front matter 2011 Elsevier B.V. A doi:10.1016/j.molstruc.2011.04.016 ⇑ Corresponding author. E-mail address: [email protected] (O.V. Dipole moments (l), molar Kerr constants (mK) and molecular polarizabilities of several five-membered ring imides and a number of model compounds were measured. Various models for determination of molecular polarizability and mK values were evaluated. It was shown that the atom–dipole interaction model does not always give satisfactory results consistent with the experimental data, even for molecules containing only 6–8 atoms. An alternative method formK calculation was offered based on the concept of interacting molecular fragments. The method uses the differences between the experimental and additive mK values of model systems as the parameter characterizing the interaction of the fragments. Good agreement with experiment was obtained. Correlations of the differences between the experimental and additive values of mK and l with the total number of nand p-electrons conjugated with the imide group were established. 2011 Elsevier B.V. All rights reserved.

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تاریخ انتشار 2011