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Potential functions of internal rotation and electric parameters of atoms of ethane molecules and its halogenated derivatives

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Abstract

Based on the previously suggested approximate quantum mechanical description of potential functions of internal rotation and the calculation method, the regions of values of atomic charges and moments of ethane molecules and its halogenated derivatives have been found. They describe simultaneously experimental potential functions of internal rotation and dipole moments of molecules with an accuracy comparable to the experimental one. Potentials of internal rotation for some unstudied molecules of the series of halogenated derivatives of ethane have been predicted.

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References

  1. V. M. Tatevskii,Vestn. Mosk. Univ., Ser. Khim. [Bull. Moscow Univ., Div. Chem. Sci.], 1980,21, 13 (in Russian).

    Google Scholar 

  2. V. M. Tatevskii, G. S. Koptev, and V. I. Tyulin,Vestn. Mask. Univ., Ser. Khim. [Bull. Moscow Univ., Div. Chem. Sci.], 1981,22, 127 (in Russian).

    Google Scholar 

  3. V. M. Tatevskii,Vestn. Mosk. Univ., Ser. Khim. [Bull. Moscow Univ., Div. Chem. Sci.], 1984,25, 226 (in Russian).

    Google Scholar 

  4. V. M. Tatevskii, V. I. Pupyshev, G. S. Koptev, and I. A. Godunov,Vestn. Mosk. Univ., Ser. Khim. [Bull. Moscow Univ., Div. Chem. Sci.], 1986,27, 22 (in Russian).

    Google Scholar 

  5. V. M. Tatevskii, G. S. Koptev, I. A. Godunov, and V. I. Pupyshev,Vestn. Mosk. Univ., Ser. Khim. [Bull. Moscow Univ., Div. Chem. Sci.], 1986,27, 134 (in Russian).

    Google Scholar 

  6. V. M. Tatevskii and I. A. Godunov,Vestn. Mosk. Univ., Ser. Khim. [Bull. Moscow Univ., Div. Chem. Sci.], 1986,27, 539 (in Russian).

    Google Scholar 

  7. I. A. Godunov and V. M. Tatevskii,Zh. Fiz. Khim., 1990,64, 2062 [Russ. J. Phys. Chem., 1990,64 (Engl. Transl.)].

    Google Scholar 

  8. I. A. Godunov and V. M. Tatevskii,Zh. Fiz. Khim., 1991,65, 2429 [Russ. J. Phys. Chem., 1991,65, 1282 (Engl. Transl.)].

    Google Scholar 

  9. V. M. Tatevskii,Vestn. Mosk. Univ., Ser. Khim. [Bull. Moscow Univ., Div. Chem. Sci.], 1971,12, 131 (in Russian).

    Google Scholar 

  10. V. M. Tatevskii,Vestn. Mosk. Univ., Ser. Khim. [Bull. Moscow Univ., Div. Chem. Sci.], 1978,19, 635 (in Russian).

    Google Scholar 

  11. V. M. Tatevskii,Stroenie molekul [Structure of Molecules], Khimiya, Moscow, 1977 (in Russian).

    Google Scholar 

  12. I. A. Godunov and V. M. Tatevskii,Zh. Fiz. Khim., 1990,64, 2233 [Russ. J. Phys. Chem., 1990,64 (Engl. Transl.)].

    Google Scholar 

  13. I. A. Godunov, A. V. Abramenkov, and V. M. Tatevskii,Zh. Fiz. Khim., 1991,65, 2422 [Russ. J. Phys. Chem., 1991,65, 1279 (Engl. Transl.)].

    Google Scholar 

  14. I. A. Godunov, A. V. Abramenkov, and V. M. Tatevskii,Dep. VINITI, 1990, No. 1122-V90 (in Russian).

  15. R. Fantoni, K. Van Halvoort, W. Knippers, and J. Reuss,J. Chem. Phys., 1986,110, 1.

    Google Scholar 

  16. G. Sage and W. Klemperer,J. Chem. Phys., 1963,39, 371.

    Google Scholar 

  17. M. Hayashi, M. Fujitake, T. Inagusa, and S. Miyazaki,J. Mol. Struct., 1990,216, 9.

    Google Scholar 

  18. J. R. Durig, W. E. Bucy, and C. J. Wurrey,J. Chem. Phys., 1975,63, 5498.

    Google Scholar 

  19. B. Beagley, H. O. Jones, and M. A. Zanjan,J. Mol. Struct., 1979,56, 215.

    Google Scholar 

  20. A. D. Lopata and J. R. Durig,J. Raman Spectrosc., 1977,6, 61.

    Google Scholar 

  21. T. Ogata and J. Miki,J. Mol. Struct., 1986,140, 49.

    Google Scholar 

  22. W. G. Fateley, F. E. Kiviat, and F. A. Miller,Spectrochim. Acta, Ser. A, 1970,A26, 315.

    Google Scholar 

  23. J. R. Durig, W. E. Bucy, and C. J. Wurrey,J. Chem. Phys., 1974,60, 3293.

    Google Scholar 

  24. R. Holm, M. Mitzlaff, and H. Hartman,Z. Naturforsch, 1968,A23, 307.

    Google Scholar 

  25. J. R. Durig, W. E. Bucy, L. A. Carreira, and C. J. Wurrey,J. Chem. Phys., 1974,60, 1754.

    Google Scholar 

  26. J. R. Durig, C. J. Wurrey, W. E. Bucy, and A. E. Sloan,Spectrochim. Acta, Ser. A, 1976,A32, 175.

    Google Scholar 

  27. D. C. Smith, G. M. Brown, and J. R. Nieisen,J. Chem. Phys., 1952,20, 473.

    Google Scholar 

  28. J. R. Durig, G. A. Guirgis, A. R. Fanning, and R. A. Larsen,J. Mol. Struct., 1988,174, 183.

    Google Scholar 

  29. N. Solimene and B. P. Dailey,J. Chem. Phys., 1954,22, 2042.

    Google Scholar 

  30. A. B. Tipton, C. O. Britt, and J. E. Boggs,J. Chem. Phys., 1967,46, 1606.

    Google Scholar 

  31. D. E. Mann and E. K. Plyler,J. Chem. Phys., 1953,21, 1116.

    Google Scholar 

  32. P. N. Brier,J. Mol. Struct., 1970,6, 23.

    Google Scholar 

  33. G. Graner and C. Thomas,J. Chem. Phys., 1968,49, 4160.

    Google Scholar 

  34. F. B. Brown, A. D. H. Clague, N. D. Heitkamp, D. F. Koster, and A. Danti,J. Mol. Spectr., 1967,24, 163.

    Google Scholar 

  35. P. Huber-Walchli and Hs. H. Gunthard,Spectrochim. Acta, Ser. A, 1981,A37, 285.

    Google Scholar 

  36. J. R. Durig, J. Liu, and T. S. Little,J. Phys. Chem., 1991,95, 4664.

    Google Scholar 

  37. J. R. Durig, J. Liu, and T. S. Little,J. Mol. Struct., 1991,248, 25.

    Google Scholar 

  38. J. Huang and K. Hedberg,J. Am. Chem. Soc., 1990,112, 2070.

    Google Scholar 

  39. K. Tanabe,Spectrochim. Acta, Ser. A, 1972,A25, 407.

    Google Scholar 

  40. J. D. Lewis, T. B. Malloy, T. H. Chao, and J. Laane,J. Mol. Struct., 1972,12, 427.

    Google Scholar 

  41. J. Kraitchman and B. P. Dailey,J. Chem. Phys., 1955,23, 184.

    Google Scholar 

  42. S. S. Butcher, R. A. Cohen, and T. C. Rounds,J. Chem. Phys., 1971,54, 4123.

    Google Scholar 

  43. E. Hirota,J. Chem. Phys., 1962,37, 283.

    Google Scholar 

  44. K. Yamanouchi, M. Sugi, H. Takeo, C. Matsumura, and K. Kuchitsu,J. Phys. Chem., 1984,88, 2315.

    Google Scholar 

  45. T. Inagusa and M. Hayashi,J. Mol. Spectr., 1988,129, 160.

    Google Scholar 

  46. R. F. Bader, J. R. Cheeseman, K. E. Laidig, K. B. Wiberg, and C. Breneman,J. Am. Chem. Soc., 1990,112, 6530.

    Google Scholar 

  47. I. A. Godunov, I. S. Belozerskii, and V. M. Tatevskii,Zh. Fiz. Khim., 1994,68, 1438 [Russ. J. Phys. Chem., 1994,68, 1306 (Engl. Transl.)].

    Google Scholar 

  48. V. R. Osborn,J. Austral. Mathem. Soc., Ser. B, 1976,19, 343.

    Google Scholar 

  49. K. B. Wiberg and M. A. Murcko,J. Phys. Chem., 1987,91, 3616.

    Google Scholar 

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Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 7, pp. 1261–1268, July, 1995.

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Sverchinskaya, S.B., Godunov, I.A., Tatevskii, V.M. et al. Potential functions of internal rotation and electric parameters of atoms of ethane molecules and its halogenated derivatives. Russ Chem Bull 44, 1215–1222 (1995). https://doi.org/10.1007/BF00700891

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  • DOI: https://doi.org/10.1007/BF00700891

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