Articles | Volume 12, issue 8
https://doi.org/10.5194/acp-12-3639-2012
© Author(s) 2012. This work is distributed under
the Creative Commons Attribution 3.0 License.
the Creative Commons Attribution 3.0 License.
https://doi.org/10.5194/acp-12-3639-2012
© Author(s) 2012. This work is distributed under
the Creative Commons Attribution 3.0 License.
the Creative Commons Attribution 3.0 License.
Research article
| 
19 Apr 2012
Research article |
| 19 Apr 2012
Structures and reaction rates of the gaseous oxidation of SO2 by an O3−(H2O)0-5 cluster – a density functional theory investigation
N. Bork
National Space Institute, Technical University of Denmark, Juliane Maries Vej 30, 2100 Copenhagen Ø, Denmark
Division of Atmospheric Sciences and Geophysics, Department of Physics, P.O. Box 64, 00014 University of Helsinki, Helsinki, Finland
Department of Chemistry, H.C. Ørsted Institute, University of Copenhagen, Universitetsparken 5, 2100 Copenhagen Ø, Denmark
T. Kurtén
Division of Atmospheric Sciences and Geophysics, Department of Physics, P.O. Box 64, 00014 University of Helsinki, Helsinki, Finland
Department of Chemistry, H.C. Ørsted Institute, University of Copenhagen, Universitetsparken 5, 2100 Copenhagen Ø, Denmark
Department of Chemistry, P.O. Box 55, 00014 University of Helsinki, Helsinki, Finland
M. B. Enghoff
National Space Institute, Technical University of Denmark, Juliane Maries Vej 30, 2100 Copenhagen Ø, Denmark
J. O. P. Pedersen
National Space Institute, Technical University of Denmark, Juliane Maries Vej 30, 2100 Copenhagen Ø, Denmark
K. V. Mikkelsen
Department of Chemistry, H.C. Ørsted Institute, University of Copenhagen, Universitetsparken 5, 2100 Copenhagen Ø, Denmark
H. Svensmark
National Space Institute, Technical University of Denmark, Juliane Maries Vej 30, 2100 Copenhagen Ø, Denmark
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Cited
26 citations as recorded by crossref.
- Reactions and Reaction Rate of Atmospheric SO2 and O3– (H2O)n Collisions via Molecular Dynamics Simulations N. Bork et al. 10.1021/jp311103z
- Solvation effects on the chemistry of the gas-phase O•−(H2O) and OH−(H2O) cluster ions with molecular oxygen and carbon dioxide J. Lengyel et al. 10.1016/j.ijms.2024.117279
- Reaction of SO2with OH in the atmosphere B. Long et al. 10.1039/C7CP00497D
- Ab intio Investigation of the Thermochemistry and Kinetics of the SO2 + O3− → SO3− + O2 Reaction in Aircraft Engines and the Environment X. Guo et al. 10.3390/e16126300
- Reactions of microhydrated ozonide with methyl chloride J. Lengyel et al. 10.1016/j.ijms.2018.10.022
- Assessment of binding energies of atmospherically relevant clusters J. Elm et al. 10.1039/c3cp52616j
- Computational study of the Rayleigh light scattering properties of atmospheric pre-nucleation clusters J. Elm et al. 10.1039/C4CP01206B
- A Closure Study of the Reaction between Sulfur Dioxide and the Sulfate Radical Ion from First-Principles Molecular Dynamics Simulations N. Tsona et al. 10.1021/acs.jpca.5b12395
- Bidirectional Interaction of Alanine with Sulfuric Acid in the Presence of Water and the Atmospheric Implication C. Wang et al. 10.1021/acs.jpca.5b11678
- Hydration effect of selected atmospheric gases with finite water clusters: A quantum chemical investigation towards atmospheric implications S. Syamlal et al. 10.1016/j.chemosphere.2022.135947
- Effect of Conformers on Free Energies of Atmospheric Complexes L. Partanen et al. 10.1021/acs.jpca.6b04452
- On the gas-phase reaction between SO2 and O2−(H2O)0–3 clusters – an ab initio study N. Tsona et al. 10.1039/C3CP54715A
- A potential source of atmospheric sulfate from O<sub>2</sub><sup>−</sup>-induced SO<sub>2</sub> oxidation by ozone N. Tsona & L. Du 10.5194/acp-19-649-2019
- Oxidation of SO2 and formation of water droplets under irradiation of 20 MeV protons in N2/H2O/SO2 S. Tomita et al. 10.1016/j.nimb.2015.08.073
- Exploring the atmospheric chemistry of O<sub>2</sub>SO<sub>3</sub><sup>−</sup> and assessing the maximum turnover number of ion-catalysed H<sub>2</sub>SO<sub>4</sub> formation N. Bork et al. 10.5194/acp-13-3695-2013
- Visible spectrum photofragmentation of O3−(H2O)n, n ≤ 16 J. Lehman & W. Lineberger 10.1063/1.4898373
- Identification and Characterization of the HCl–DMS Gas Phase Molecular Complex via Infrared Spectroscopy and Electronic Structure Calculations N. Bork et al. 10.1021/jp411567x
- Effects of Global and Local Anharmonicities on the Thermodynamic Properties of Sulfuric Acid Monohydrate L. Partanen et al. 10.1021/acs.jctc.6b00683
- Interaction of Glycine with Common Atmospheric Nucleation Precursors J. Elm et al. 10.1021/jp408962c
- From O2–-Initiated SO2 Oxidation to Sulfate Formation in the Gas Phase N. Tsona et al. 10.1021/acs.jpca.8b03381
- Contributions of alanine and serine to sulfuric acid-based homogeneous nucleation H. Cao et al. 10.1016/j.atmosenv.2020.118139
- Exploring the chemical fate of the sulfate radical anion by reaction with sulfur dioxide in the gas phase N. Tsona et al. 10.5194/acp-15-495-2015
- Influence of Nucleation Precursors on the Reaction Kinetics of Methanol with the OH Radical J. Elm et al. 10.1021/jp4051269
- An isotopic analysis of ionising radiation as a source of sulphuric acid M. Enghoff et al. 10.5194/acp-12-5319-2012
- The atomic structure of protons and hydrides in Sm1.92Ca0.08Sn2O7−δ pyrochlore from DFT calculations and FTIR spectroscopy N. Bork et al. 10.1063/1.4737786
- Hydration of acetic acid-dimethylamine complex and its atmospheric implications J. Li et al. 10.1016/j.atmosenv.2019.117005
23 citations as recorded by crossref.
- Reactions and Reaction Rate of Atmospheric SO2 and O3– (H2O)n Collisions via Molecular Dynamics Simulations N. Bork et al. 10.1021/jp311103z
- Solvation effects on the chemistry of the gas-phase O•−(H2O) and OH−(H2O) cluster ions with molecular oxygen and carbon dioxide J. Lengyel et al. 10.1016/j.ijms.2024.117279
- Reaction of SO2with OH in the atmosphere B. Long et al. 10.1039/C7CP00497D
- Ab intio Investigation of the Thermochemistry and Kinetics of the SO2 + O3− → SO3− + O2 Reaction in Aircraft Engines and the Environment X. Guo et al. 10.3390/e16126300
- Reactions of microhydrated ozonide with methyl chloride J. Lengyel et al. 10.1016/j.ijms.2018.10.022
- Assessment of binding energies of atmospherically relevant clusters J. Elm et al. 10.1039/c3cp52616j
- Computational study of the Rayleigh light scattering properties of atmospheric pre-nucleation clusters J. Elm et al. 10.1039/C4CP01206B
- A Closure Study of the Reaction between Sulfur Dioxide and the Sulfate Radical Ion from First-Principles Molecular Dynamics Simulations N. Tsona et al. 10.1021/acs.jpca.5b12395
- Bidirectional Interaction of Alanine with Sulfuric Acid in the Presence of Water and the Atmospheric Implication C. Wang et al. 10.1021/acs.jpca.5b11678
- Hydration effect of selected atmospheric gases with finite water clusters: A quantum chemical investigation towards atmospheric implications S. Syamlal et al. 10.1016/j.chemosphere.2022.135947
- Effect of Conformers on Free Energies of Atmospheric Complexes L. Partanen et al. 10.1021/acs.jpca.6b04452
- On the gas-phase reaction between SO2 and O2−(H2O)0–3 clusters – an ab initio study N. Tsona et al. 10.1039/C3CP54715A
- A potential source of atmospheric sulfate from O<sub>2</sub><sup>−</sup>-induced SO<sub>2</sub> oxidation by ozone N. Tsona & L. Du 10.5194/acp-19-649-2019
- Oxidation of SO2 and formation of water droplets under irradiation of 20 MeV protons in N2/H2O/SO2 S. Tomita et al. 10.1016/j.nimb.2015.08.073
- Exploring the atmospheric chemistry of O<sub>2</sub>SO<sub>3</sub><sup>−</sup> and assessing the maximum turnover number of ion-catalysed H<sub>2</sub>SO<sub>4</sub> formation N. Bork et al. 10.5194/acp-13-3695-2013
- Visible spectrum photofragmentation of O3−(H2O)n, n ≤ 16 J. Lehman & W. Lineberger 10.1063/1.4898373
- Identification and Characterization of the HCl–DMS Gas Phase Molecular Complex via Infrared Spectroscopy and Electronic Structure Calculations N. Bork et al. 10.1021/jp411567x
- Effects of Global and Local Anharmonicities on the Thermodynamic Properties of Sulfuric Acid Monohydrate L. Partanen et al. 10.1021/acs.jctc.6b00683
- Interaction of Glycine with Common Atmospheric Nucleation Precursors J. Elm et al. 10.1021/jp408962c
- From O2–-Initiated SO2 Oxidation to Sulfate Formation in the Gas Phase N. Tsona et al. 10.1021/acs.jpca.8b03381
- Contributions of alanine and serine to sulfuric acid-based homogeneous nucleation H. Cao et al. 10.1016/j.atmosenv.2020.118139
- Exploring the chemical fate of the sulfate radical anion by reaction with sulfur dioxide in the gas phase N. Tsona et al. 10.5194/acp-15-495-2015
- Influence of Nucleation Precursors on the Reaction Kinetics of Methanol with the OH Radical J. Elm et al. 10.1021/jp4051269
3 citations as recorded by crossref.
- An isotopic analysis of ionising radiation as a source of sulphuric acid M. Enghoff et al. 10.5194/acp-12-5319-2012
- The atomic structure of protons and hydrides in Sm1.92Ca0.08Sn2O7−δ pyrochlore from DFT calculations and FTIR spectroscopy N. Bork et al. 10.1063/1.4737786
- Hydration of acetic acid-dimethylamine complex and its atmospheric implications J. Li et al. 10.1016/j.atmosenv.2019.117005
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