Abstract
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[sub f][degrees] (300), to be [minus]14.2 [+-] 1.6 kcal mol[sup [minus]1]. This is in contrast to the widely used estimate of [minus]19 kcal mol[sup [minus]1] and the recently suggested value of [minus]9 kcal mol[sup [minus]1]. Thermodynamic data for HOBr are derived in the 0-500 K range and used to compute reaction energies of importance to atmospheric chemistry. 29 refs., 3 tabs.
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