Determination of Dissociation Energies and Thermal Functions of Hydrogen‐bond Formation using High Resolution FTIR Spectroscopy

Authors

B. A. Wofford
M. E. Eliades
Shannon Lieb, Butler UniversityFollow
J. W. Bevan

Document Type

Article

Publication Date

1987

Publication Title

The Journal of Chemical Physics

First Page

5674

Last Page

5680

DOI

http://dx.doi.org/10.1063/1.453542

Abstract

A technique which employs high resolution Fourier transform infrared spectroscopy is demonstrated for evaluation of hydrogen bonddissociation energiesD ₀ and D _e . Results for HCN‐‐HF give a D ₀=20.77(22) and D _e =28.77(45) kJ/mol which are compared with previously determined values obtained from microwave absolute intensity measurements and a b i n i t i o molecular orbital calculations. Rovibrational band information available for HCN‐‐HF also permits evaluation of thermal functions of dimer formation in kJ/mol: ΔU ^○ _298.2 =20.1(2), ΔH ^○ _298.2 =22.6(2), ΔG ^○ _298.2 =59.4(2), ΔS ^○ _298.2 =−0.1235.

Rights

This article was archived with permission from AIP Publishing, all rights reserved. Document also available from The Journal of Chemical Physics.

Recommended Citation

Wofford, B. A.; Eliades, M. E.; Lieb, Shannon; and Bevan, J. W., "Determination of Dissociation Energies and Thermal Functions of Hydrogen‐bond Formation using High Resolution FTIR Spectroscopy" The Journal of Chemical Physics / (1987): 5674-5680.
Available at https://digitalcommons.butler.edu/facsch_papers/775