Intramolecular hydrogen bond energies

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


  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.



Hydrogen Chloride Hydrogen Bond Bromide Fluoride 
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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

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