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[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 k...

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Bibliographic Details
Published in:Journal of physical chemistry (1952) 1994-05, Vol.98 (18), p.4773-4775
Main Authors: McGrath, M. P, Rowland, F. S
Format: Article
Language:English
Subjects:
400201 - Chemical & Physicochemical Properties
400500 - Photochemistry
540120 - Environment, Atmospheric- Chemicals Monitoring & Transport- (1990-)
ATMOSPHERIC CHEMISTRY
BROMINE COMPOUNDS
CHEMICAL REACTIONS
CHEMISTRY
COMPILED DATA
DATA
DECOMPOSITION
ENERGY
ENTHALPY
ENVIRONMENTAL SCIENCES
FORMATION HEAT
FREE ENERGY
HALOGEN COMPOUNDS
HYDROGEN COMPOUNDS
INFORMATION
INORGANIC ACIDS
INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY
NUMERICAL DATA
OZONE
PHOTOCHEMICAL REACTIONS
PHOTOLYSIS
PHYSICAL PROPERTIES
REACTION HEAT
THERMODYNAMIC PROPERTIES
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Summary: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.
ISSN:0022-3654
1541-5740
DOI:10.1021/j100069a001