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Topological Model for Dipole–Quadrupole Polarizability and Its Application to Analysis of Discriminating Intermolecular Interactions

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Abstract

A simplified model for calculating the dipole and dipole–quadrupole polarizabilities Ai,jk is suggested. The model is based on the mean energy method and on the topological approximation to the bond order matrix. Pseudoinvariants of the Ai,jk tensor are calculated to evaluate the degree of molecular dissymmetry, which is responsible for the discriminating intermolecular forces. The method is illustrated by calculations for a number of chiral molecules and comparison of the calculated indices with the experimentally evaluated twisting ability of molecules during the nematic–cholesteric phase transition.

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References

  1. V. A. Kizel, Physical Reasons for Dissymmetry of Living Systems [in Russian], Nauka, Moscow (1985).

    Google Scholar 

  2. Yu. S. Barash, Van der Waals Forces [in Russian], Nauka, Moscow (1988).

    Google Scholar 

  3. P. Hobza and R. Zahradnik, Intermolecular Complexes, Academia, Prague (1988).

    Google Scholar 

  4. G. S. Chilaya and L. N. Lisetskii, Usp. Fiz. Nauk, 134, No. 2, 279-304 (1981).

    Google Scholar 

  5. A. S. Sonin, Introduction to Liquid Crystal Physics [in Russian], Nauka, Moscow (1983).

    Google Scholar 

  6. W. J. Goossens, Mol. Cryst. Liq. Cryst., 12, No. 3, 237-244 (1971).

    Google Scholar 

  7. E. Buckingham, in: Intermolecular Interactions, from Diatomics to Biopolymers, B. Pullman (ed.), Wiley, New York (1977).

    Google Scholar 

  8. B. E. Pobedrya, Lectures in Tensor Analysis [in Russian], Moscow State University, Moscow (1986).

    Google Scholar 

  9. A. V. Luzanov and E. N. Babich, J. Mol. Struct. (Theochem), 333, 279-290 (1995).

    Google Scholar 

  10. G. Starkschall and R. G. Gordon, J. Chem. Phys., 56, No. 6, 2801-2806 (1972).

    Google Scholar 

  11. V. A. Gubanov, V. P. Zhukov, and A. O. Litinskii, Semiempirical Molecular Orbital Methods in Quantum Chemistry [in Russian], Nauka, Moscow (1986).

    Google Scholar 

  12. S. G. Wulfson, Molecular Magnetic Chemistry [in Russian], Nauka, Moscow (1991).

    Google Scholar 

  13. M. F. Vuks, Electrical and Optical Properties of Molecules and Condensed Media [in Russian], Leningrad University, Leningrad (1984).

    Google Scholar 

  14. H. Weiss, R. Ahlrichs, and M. Haser, J. Chem. Phys., 99, No. 2, 1262-1270 (1993).

    Google Scholar 

  15. G. Gottarelli and G. P. Spada, Mol. Cryst. Liq. Cryst., 123, No. 3, 377-388 (1985).

    Google Scholar 

  16. E. M. Aver'yanov, V. A. Zhuikov, and P. V. Adomenas, Zh. Teor. Éksp. Fiz., 81, No. 1, 210-216 (1981).

    Google Scholar 

  17. A. N. Shramkov and P. P. Shtifanyuk, Teor. Mat. Fiz., 90, No. 2, 246-258 (1990).

    Google Scholar 

  18. A. V. Luzanov, V. V. Ivanov, and R. M. Minyaev, Zh. Strukt. Khim., 39, No. 2, 319-327 (1998).

    Google Scholar 

  19. G. S. Chilaia and L. N. Lisetski, Mol. Cryst. Liq. Cryst., 140, Nos. 2-4, 243-286 (1986).

    Google Scholar 

  20. L. A. Batrachenko and L. N. Lisetskii, Zh. Strukt. Khim., 32, No. 5, 146-147 (1991).

    Google Scholar 

  21. L. A. Kutulya, V. E. Kuzmin, I. V. Stelmakh, et al., J. Phys. Org. Chem., 5, 308-316 (1992).

    Google Scholar 

  22. A. Ferrarini, G. J. Moro, and P. L. Nordio, Liq. Cryst., 19, No. 3, 397-399 (1995).

    Google Scholar 

  23. P. P. Shtifanyuk, Vestn. Khark. Un-ta, No. 454, 4(27), 182-185 (1999).

    Google Scholar 

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Authors and Affiliations

  1. Scientific Technical Concern “Institute of Single Crystals,” National Academy of Sciences, Ukraine, Kharkov

    A. V. Luzanov & L. N. Lisetskii

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  1. A. V. Luzanov
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  2. L. N. Lisetskii
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Luzanov, A.V., Lisetskii, L.N. Topological Model for Dipole–Quadrupole Polarizability and Its Application to Analysis of Discriminating Intermolecular Interactions. Journal of Structural Chemistry 42, 544–549 (2001). https://doi.org/10.1023/A:1013125405958

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  • DOI: https://doi.org/10.1023/A:1013125405958

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