Intramolecular hydrogen bond energies

2. The ethanol halides
  • R. R. Shagidullin
  • A. Kh. Plyamovatyi
Physical Chemistry
  • 32 Downloads

Conclusions

  1. 1.

    The difference in the energies of individual conformers can be obtained from values of the effective measurable quantity ΔE exp * .

     
  2. 2.

    The energy of intramolecular hydrogen bonding (IHB) in the ethanol halides can be determined from measured ΔE exp * values alone. The EIHB value for ethanol chloride is less than the corresponding value for ethanol bromide. A similar ordering is obtained from the expression -EIHB=gDEexp-ΔEcomf in which ΔEconf is calculated by AAPF methods.

     
  3. 3.

    Described through a Morse potential function, the EIHB values for ethanol fluoride, chloride, bromide, and iodide vary in parallel with the frequency shift in the ΔνOH stretching vibration band.

     

Keywords

Hydrogen Chloride Hydrogen Bond Bromide Fluoride 

Preview

Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.

Literature cited

  1. 1.
    R. R. Shagidullin, A. Kh. Plyamovatyi, and S. A. Katsyuba, Izv. Akad. Nauk SSSR, Ser. Khim., 2262 (1980).Google Scholar
  2. 2.
    Yu. A. Penmin and V. M. Tamevskii, Zh. Fiz. Khim.,31, 1830 (1957).Google Scholar
  3. 3.
    P. Buckley, P. A. Giguere, and M. Schneider, Can. J. Chem.,4, 901 (1969).Google Scholar
  4. 4.
    E. A. Robinson, H. D. Schreiber, and J. N. Spenser, Spectrochim. Acta.,28A, 397 (1972).Google Scholar
  5. 5.
    L. R. Zumwalt and R. M. Badger, J. Am. Chem. Soc.,62, 305 (1940).Google Scholar
  6. 6.
    S. Mizushima, T. Shimanouchi, T. Miyazawa, K. Abe, and M. Yasumi, J. Chem. Phys.,19, 1477 (1951).Google Scholar
  7. 7.
    M. Igarashi and M. Yamaha, Bull. Chem. Soc. Jpn.,29, 871 (1956).Google Scholar
  8. 8.
    L. Radom, W. A. Lahtan, W. J. Hehre, and J. A. Pople, J. Am. Chem. Soc.,95, 693 (1979).Google Scholar
  9. 9.
    P. Buckley, P. A. Giguere, and D. Yamamoto, Can. J. Chem.,46, 2917 (1968).Google Scholar
  10. 10.
    J. Hirshfelder, Advances in Chemical Physics,12, 206 (1967), New York.Google Scholar
  11. 11.
    R. J. Gillespie, Molecular Chemistry, Van Nostrand-Reinhold (1972).Google Scholar
  12. 12.
    V. G. Dashevskii, Conformations of Organic Molecules [in Russian], Khimiya, Moscow (1974), pp 111, 367.Google Scholar
  13. 13.
    R. J. Good and C. J. Hope, J. Chem. Phys.,53, 540 (1970).Google Scholar
  14. 14.
    P. J. Krueger and H. D. Mettee, Can. J. Chem.,42, 326 (1964).Google Scholar

Copyright information

© Plenum Publishing Corporation 1981

Authors and Affiliations

  • R. R. Shagidullin
    • 1
  • A. Kh. Plyamovatyi
    • 1
  1. 1.Physical ChemistryKazan Branch of the Academy of Sciences of the USSRUSSR

Personalised recommendations