Vol. 2, issue 12, article # 1

pdf Bokov O. G. Multipole formalism in the study of intermolecular and intramolecular interactions. // Atmospheric and oceanic optics. 1989. V. 2. No. 12. P. 1053-1063.
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The multipole formalism in the theory of intermolecular interactions is reviewed and the reasons for its success in applications in condensed media are analyzed. The question of the effective size of the multipoles is discussed. The effective length of the dipole moment of the water molecule is calculated on the basis of the Duncan-Pople model. The multi pole formalism is used for the first time to describe intramolecular interactions in the approximation of small electronic overlapping. The dipole and quadrupole moments of 36 diatomic molecules and bonds were calculated, and the computed values agree fairly well with experiment. The mechanism of formation of the chemical bond in diatomic molecules is discussed on the basis of the dipole-quadrupole interaction of the atoms.


1. H.A. Lorenz, Wied. Ann., 9, 641 (1880).
2. M. Born and Kun Huang, Dynamical Theory of Crystal Lattices, Clarendon Press, Oxford (1951) [Russian translation, Inostr. Lit., Moscow (1958)].
3. V.M. Agranovitch, M.D. Galanin, Transfer of Electric Excitation Energy in Condensed Media (Nauka, Moscow, 1978).
4. P. Debye, Physik Z., 21, 178 (1920); Ibid. 22, 302 (1921).
5. W.H. Keeson, ibid., 22, 129 (1921).
6. J.E. Lennard-Jones, Proc. Roy. Soc., A16, 441 (1924).
7. F. London, Z. Physik, 63, 245 (1930); Z. Physik. Chem., B11, 221 (1930); Trans. Far. Soc., 33, 8 (1937).
8. S.C. Wang, Physik Z., 8, 663 (1927).
9. A.D. Buckingham, Intermolecular Interactions. From Diatomic Molecules to Biopolymers, Ed. by B. Pullman, John Wiley and Sons, New York (1978) [Russian translation, Mir, Moscow (1981)].
10. I.G. Kaplan, Introduction to the Theory of Intermolecular Interactions [in Russian, Nauka, Moscow, (1982)].
11. J.O. Hirschefelder, C.F. Curtiss, and R.B. Bird, Molecular Theory of Gases and Liquids, John Wiley and Sons, New York, (1954) [Russian translation, Inostr. Lit., Moscow (1961)].
12. L. Jansen and A.D. Solem, Phys. Rev., 104. 1291 (1956).
13. A. Dalgarno and J.T. Lewis, Proc. Phys. Soc., A69, 57 (1956).
14. C. Kittel, Introduction to Solid State Physics, John Wiley and Sons, New York, (1974) [Russian translation, Nauka, Moscow (1978)].
15. G.N. Zatsepina, Properties and Structure of Water Moscow State University Press, Moscow (1974).
16. V.I. Minkin, B.Ja. Simkin, and R.M. Minaev, Theory of Molecular Structure (Vyssh. Shkola, Moscow, 1979).
17. O.G. Bokov and V.A. Ohonin, Zh. Eksp. Teor. Fiz., 69, 964 (1975).
18. A. Unsold, Z. Physik, 43. 563 (1927).
19. A.A. Radzig and В.M. Smirnov, Handbook of Atomic and Molecular Physics (Atomizdat, Moscow, 1980).
20. O.A. Osipov, V.I. Minkin, and A.D. Garnovskii, Handbook of Dipole Moments (Vyssh. Shkola, Moscow, 1971).
21. D.E. Stogryn and A.P. Stogryn, Molec. Phys., 11, 371 (1966).
22. A.D. Buckingham, C.Graham, and J.H. Williams, ibid., 49, 703 (1983).
23. H. Glaser and H. Reiss, Chem. Phys., 23, 937 (1955).
24. M.V. Volkenstein, Structure and Physical Properties of Molecules (Izd. Akad. Nauk SSSR, Moscow, 1955).
25. S.S. Batzanov, Electronegativity of the Elements and the Chemical Bond (Siberian Branch of the Academy of Sciences, Novosibirsk, 1962).
26. E. Lippincott and J. Stutman, Phys. Chem., 68, 2926 (1964).