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Calculation of dipole moments in conjugated enamines by LCAO MO method

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Abstract

Quantum-mechanical calculations were performed for a number of Β-aminovinyl ketones, and their π-dipole moments were calculated. The results are compared with experimental values of μ πexper =μexper-μσ for 12 Β-aminovinyl ketones, and a linear correlation was obtained between the experimental and calculated values. On the basis of the results obtained, the conformation of the π-electron system and the orientation of the substituents were determined.

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References

  1. Ya. F. Freimanis and M. R. Shkyudite, ZhOrKh, 3, 1067, 1967.

    Google Scholar 

  2. P. J. McCarthy and A. E. Martell, J. Am. Chem. Soc., 78, 265, 1956.

    Google Scholar 

  3. W. J. Hovey and A. E. Martell, J. Am. Chem. Soc., 82, 364, 1960.

    Google Scholar 

  4. A. N. Shidlovskaya, Ya. K. Syrkin, and N. K. Kochetkov, Izv. AN SSSR, OKhN, 254, 1956.

  5. M. H. Hutchinson and L. E. Sutton, J. Chem. Soc., 4382, 1958.

  6. V. N. Vasil'eva, S. M. Kvitko, and D. V. Perekalin, ZhOKh, 32, 1768, 1962.

    Google Scholar 

  7. L. E. Orgel, T. L. Cotrell, W. Dick, and L. E. Sutton, Trans. Farad. Soc., 47, 113, 1951.

    Google Scholar 

  8. I. B. Mazheika, L. A. Avota, G. P. Sokolov, and S. A. Hiller, ZhOKh, 34, 3380, 1964.

    Google Scholar 

  9. J. A. Combes and C. Combes, Bull. Soc. Chim. Fr., 7, 778, 1892.

    Google Scholar 

  10. P. Haas, J. Chem. Soc., 89, 395, 1906.

    Google Scholar 

  11. O. Ya. Neiland, Izv. AN LatvSSR, ser. khim., 577, 1964.

  12. Ya. F. Freimanis and G. Ya. Vanag, DAN SSSR, 139, 128, 1961.

    Google Scholar 

  13. Ya. F. Freimanis, G. Ya. Vanag, and V. A. Nakele, ZhOrKh, 2, 876, 1966.

    Google Scholar 

  14. Ya. F. Freimanis and G. Ya. Vanag, ZhOKh, 32, 2140, 1962.

    Google Scholar 

  15. Ya. F. Freimanis, collection: Cyclic Β-Diketones [in Russian], Riga, p. 207, 1961.

  16. Ya. F. Freimanis and G. Ya. Vanag, bnIzv. AN LatvSSR, ser. khim., 205, 1961.

  17. E. Streitvizer, Theory of Molecular Orbitals for Organic Chemists [in Russian], Mir, Moscow, 1965.

    Google Scholar 

  18. J. Dabrowski and K. Kamienska-Trela, Spectrochim. Acta, 22, 211, 1966.

    Google Scholar 

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Authors and Affiliations

  1. Institute of Organic Synthesis, AS LatvSSR, Riga

    Ya. F. Freimanis & I. B. Mazheika

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  1. Ya. F. Freimanis
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  2. I. B. Mazheika
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Freimanis, Y.F., Mazheika, I.B. Calculation of dipole moments in conjugated enamines by LCAO MO method. Theor Exp Chem 4, 382–386 (1971). https://doi.org/10.1007/BF00531043

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  • DOI: https://doi.org/10.1007/BF00531043

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