The Journal of Chemical Physics
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.
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.
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