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Infrared vibrational spectroscopy study of the conformational mobility of fluoroalkylbenzoic acids

  • Proceedings Of The 13th Seminar On Intermolecular Interactions And Conformations Of Molecules
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Abstract

Structural aspects of polymorphism are studied for homologous series of alkylbenzoic acids with a completely or partially fluorinated alkyl radical. IR absorption spectra were measured in the range 60-4000 cm−1 at 100–500 K. The spectra were interpreted by computer simulation on a PC with LEV-100 software realizing the fragmentary approach to solving the mechanical and optoelectronic problems by the method of M. V. Volkenshtein, M. A. El’yashevich, L. A. Gribov, and B. I. Stepanov. The previous assumptions that the samples possess conformational mobility and are conformationally nonhomogeneous are confirmed by comparing the spectra of the title compounds measured at different temperatures with those calculated for conformer models with different degrees of twisting of fluoroalkyl radicals and their different orientations relative to the other part of the complex.

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References

  1. Yu. A. Fialkov, I. M. Zalesskaya, and L. M. Yagupolskii,Zh. Org. Khim.,19, No. 10, 2055–2062 (1983).

    CAS  Google Scholar 

  2. A. K. Atakhodzhaev, L. M. Babkov, I. M. Zalesskaya, et al.,Ukr. Fiz. Zh.,31, No. 6, 869–876 (1986).

    CAS  Google Scholar 

  3. A. K. Atakhodzhaev, M. Babkov, I. M. Zalesskaya, et al.,J. Mol. Struct.,160, 229–243 (1987).

    Article  CAS  Google Scholar 

  4. L. M. Babkov, G. A. Puchkovskaya, and A. A. Yakubov,Zh. Prikl. Spektrosk.,47, No. 5, 787–793 (1987).

    CAS  Google Scholar 

  5. L. M. Babkov, G. A. Puchkovskaya, et al., in:IR Spectroscopy of Molecular Crystals with Hydrogen Bonds [in Russian], Naukova Dumka, Kiev (1989).

    Google Scholar 

  6. M. V. Volkenshtein, L. A. Gribov, M. A. El’yashevich, and B. I. Stepanov,Molecular Vibrations [in Russian], Nauka, Moscow (1972).

    Google Scholar 

  7. L. M. Sverdlov, M. A. Kovner, and E. P. Krainov,Vibrational Spectra of Polyatomic Molecules [in Russian], Nauka, Moscow (1970).

    Google Scholar 

  8. L. A. Gribov,Introduction to Molecular Spectroscopy [in Russian], Nauka, Moscow (1976).

    Google Scholar 

  9. A. T. Todorovskii and V. A. Dementiev,Zh. Prikl. Spektrosk.,28, No. 5, 864–869 (1978).

    CAS  Google Scholar 

  10. L. A. Gribov and V. A. Dementiev,Computer Simulation of Vibrational Spectra of Complex Compounds [in Russian], Nauka, Moscow (1981).

    Google Scholar 

  11. L. A. Gribov and V. A. Dementiev,Tabulated Parameters for Calculating Vibrational Spectra of Polyatomic Molecules [in Russian], Nauka, Moscow (1979).

    Google Scholar 

  12. V. I. Minkin, O. A. Osipov, and Yu. A. Zhdanov,Dipole Moments in Organic Chemistry [in Russian], Leningrad (1968).

  13. O. A. Osipov, V. I. Minkin, and A. D. Granovskii,Handbook in Dipole Moments [in Russian], Khimiya, Moscow (1971).

    Google Scholar 

  14. T. Clark,A Handbook of Computational Chemistry: A Practical Guide to Chemical Structure and Energy Calculations, Wiley, New York (1985).

    Google Scholar 

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Authors
  1. L. M. Babkov
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  2. E. S. Vedyaeva
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  3. G. A. Puchkovskaya
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  4. A. A. Yakubov
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Additional information

N. G. Chernyshevskii Saratov State University. Institute of Physics, Ukrainian Academy of Sciences (Kiev). Translated fromZhurnal Strukturnoi Khimii, Vol. 39, No. 3, pp. 522–528, May–June, 1998.

This work was supported by RFFR grant No. 97-03-32175a.

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Babkov, L.M., Vedyaeva, E.S., Puchkovskaya, G.A. et al. Infrared vibrational spectroscopy study of the conformational mobility of fluoroalkylbenzoic acids. J Struct Chem 39, 426–431 (1998). https://doi.org/10.1007/BF02873653

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  • DOI: https://doi.org/10.1007/BF02873653

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