The enthalpy of formation, AH&,, of the HSO radical has been determined to be -0.9 + 0.7 kcal/mol from the analysis of highresolution crossed beam reactive scattering experiments on the reaction 0( 'P) +H,S+HSO+H at different collision energies. The results are compared with previous experimental an
Theoretical values of the enthalpies of formation of the SH and HSO radicals
β Scribed by J. Espinosa-Garcia; J.C. Corchado
- Publisher
- Elsevier Science
- Year
- 1994
- Tongue
- English
- Weight
- 457 KB
- Volume
- 218
- Category
- Article
- ISSN
- 0009-2614
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## Abstract A quasiβclassical trajectory study of the title reaction is reported using a global, double, manyβbody expansion potential energy surface for HSO~2~. Calculations are presented for specific translational energies and rovibrational states of the reactants, showing that formations of H +
The enthalpies of formation of the NH x (x = 1, 2, 3) compounds were theoretically estimated using the isogyric and hydrogenation reactions as working chemical reactions. Energy differences were computed at seven levels of calculation, using MP4 (with spin projection and post-PMP4 corrections), QCI,
## Receiwd 30 June 19X3 Thermochemical properties of the HSO radical in the ideal gas state from 0 to 3000 K uere calculated in the harmonic-oscillator, rigid-rotor approGrnation using recent spectroscopic data for the vibrational frequencies and heat of formation, and theoretica! estimates of the