The Atmospheric Oxidation of the HS Radical: Reaction with NO2

  title={The Atmospheric Oxidation of the HS Radical: Reaction with NO2},
  author={Stella M. Resende},
  journal={Journal of Atmospheric Chemistry},
  • 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… 
The impact of HS radicals on the measured rate constant of H2S with OH radicals
The rate constant for the reaction of OH radicals and hydrogen sulfide (H2S) was studied in different bath gases (including N2, air, O2 and He) by using relative technique at 298 K. The small
Photochemistry of HNSO2 in cryogenic matrices: spectroscopic identification of the intermediates and mechanism.
The photochemistry (193 nm laser) of HNSO2 in N2-, Ne-, and Ar-matrices (≤15 K) has been studied and several new isomers including anti- syn HONSO, gauche-syn HOSNO, syn HOS(O)N, anti HOSN, syn HS(O), and an elusive caged-radical pair HOS˙˙NO have been identified.
Thermodynamic properties of the isomers of [HNOS], [HNO2 S], and [HNOS2 ] and the role of the central sulfur.
A reliable computational chemistry approach based on valence CCSD(T) calculations extrapolated to the complete basis set limit with additional corrections shows that compounds with the ability of the central S atom to effectively expand its valency leads to more stable isomers and, as a consequence, those with the NSO structural motif are thermochemically more stable than thoseWith the SNO motif.
Theoretical study of the O + HSO reaction
A quasi-classical trajectory study of the title reaction is reported using a global, double, many-body expansion potential energy surface for HSO2. Calculations are presented for specific
Biochemical insight into physiological effects of H₂S: reaction with peroxynitrite and formation of a new nitric oxide donor, sulfinyl nitrite.
S sulfide modulates the chemistry and biological effects of peroxynitrite by its scavenging and formation of a new chemical entity (HSNO₂) with the potential to release NO, suppressing the pro-apoptotic, oxidative and nitrative properties of per oxynitrites.
Unimolecular Rate Constants for the HF and HCl Elimination Reactions from Chemically Activated CF2ClSH
Chemically activated CF3SH, CFCl2SH, and CF2ClSH were formed through combination of SH and CF3, CFCl2, and CF2Cl radicals, respectively. The SH radical was prepared by abstraction of an H-atom from
Fundamental chemistry of binary S,N and ternary S,N,O anions: analogues of sulfur oxides and N,O anions.
This Tutorial Review provides a consolidated account of the fundamental chemistry including synthesis, spectroscopic characterisation, molecular and electronic structures, and properties of these intriguing species, and compares these aspects of their behaviour with those of isoelectronic sulfur oxides and N,O anions.
ARTICLES: Theoretical Study of Interaction Between S2 and SiHx (x = 1, 2, 3) in Porous Silicon
The interaction between S2 molecule and SiHx (x = 1, 2, 3) in porous silicon is investigated using the B3LYP method of density functional theory with the Ianl2dz basis set. The model of porous
A chemical dynamics study of the HCl + HCl+ reaction
Reactor accident chemistry an update
Abstract A review and discussion of some of the literature on the subject of serious nuclear reactor accidents. This review addresses some biological issues such as the influence of dose rate on the


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