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Journal of Physical Chemistry, Vol.98, No.18, 4773-4775, 1994
Ideal-Gas Thermodynamic Properties of Hobr
On the basis of the Gaussian-2 theory of molecular energies, supplemented with empirical data, we have determined the ideal gas heat of formation of HOBr, Delta H(f)(d)egrees(300), to be -14.2 +/- 1.6 kcal mol(-1). This is in contrast to the widely used estimate of -19 kcal mol(-1) and the recently suggested value of -19 kcal mol(-1). Thermodynamic data for HOBr are derived in the 0-500 K range and used to compute reaction energies of importance to atmospheric chemistry.
Keywords:MOLECULAR-ENERGIES;INFRARED MEASUREMENTS;ULTRAVIOLET-SPECTRUM;EQUILIBRIUM-CONSTANT;GAUSSIAN-2 THEORY;2ND-ROW COMPOUNDS;OZONE DEPLETION;HOCL;BRO;BAND