The Atmospheric Oxidation of the HS Radical: Reaction with NO2

@article{Resende2006TheAO,
  title={The Atmospheric Oxidation of the HS Radical: Reaction with NO2},
  author={Stella M. Resende},
  journal={Journal of Atmospheric Chemistry},
  year={2006},
  volume={56},
  pages={21-32}
}
  • S. M. Resende
  • Published 25 October 2006
  • Chemistry, Environmental Science
  • Journal of Atmospheric Chemistry
The atmospheric reaction between HS and NO2 was theoretically investigated at 298 K and 1 atm of pressure. Our results show that the first reaction step will lead to the formation of HSNO2 or HSONO, spontaneously and exothermically. HSONO easily decomposes into HSO + NO. On the other hand, HSNO2 can hardly dissociate in the reactants, and its isomerization to other adducts is much hindered. Production of HNO + SO and SNO + OH was found to be unfavorable. Thus, the main products would be HSO… 
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References

SHOWING 1-10 OF 37 REFERENCES
Reactions of HS with NO and NO2 at 298 K
HS radicals have been generated by the photodissociation of H2S at 193 nm and their disappearance monitored by LIF. The reaction of HS with NO, like the analogous reaction of OH with NO, has been
Mechanism and Kinetics of the Reaction between HS and Cl Radicals
The atmospheric reaction between HS and chlorine radicals was studied theoretically, using ab initio methods. We investigated three reaction possibilities:  HSCl formation, and the production of HCl
The reaction of SH with O2: A theoretical high level investigation
The atmospheric interaction of SH with O2 was investigated using single and multireference theoretical techniques. Several possibilities for the products were tested, the most important being the
Atmospheric reaction between the HS radical and chlorine
Kinetics of the reactions of atomic chlorine with H2S, HS and OCS
The Cl + H2S system has been examined in a discharge–flow system with detection of free-radical and molecular species via molecular-beam-sampling mass spectrometry. The time-dependence of the product
Temperature dependence of the rate constant for the reaction mercapto + nitrogen dioxide
Two reactions of atmospheric importance involving the HS radical have been studied by using a discharge flow laser magnetic resonance technique: (1) HS + NO/sub 2/ ..-->.. products; and (2) HS +
A Theoretical Study on the Kinetics of Hydrogen Abstraction Reactions of Methyl or Hydroxyl Radicals with Hydrogen Sulfide
Hydrogen abstraction reactions of methyl radicals or hydroxyl radicals with hydrogen sulfide are studied over the temperature range of 200−3000 K from a theoretical point of view. Potential energy
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