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The Reaction of Sulfur Dioxide Radical Cation with Hydrogen and its Relevance in Solar Geoengineering Models.
ChemPhysChem ( IF 2.3 ) Pub Date : 2020-04-29 , DOI: 10.1002/cphc.202000194 Mauro Satta 1 , Antonella Cartoni 2 , Daniele Catone 3 , Mattea Carmen Castrovilli 4 , Paola Bolognesi 4 , Nicola Zema 3 , Lorenzo Avaldi 4
ChemPhysChem ( IF 2.3 ) Pub Date : 2020-04-29 , DOI: 10.1002/cphc.202000194 Mauro Satta 1 , Antonella Cartoni 2 , Daniele Catone 3 , Mattea Carmen Castrovilli 4 , Paola Bolognesi 4 , Nicola Zema 3 , Lorenzo Avaldi 4
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SO2 has been proposed in solar geoengineering as a precursor of H2SO4 aerosol, a cooling agent active in the stratosphere to contrast climate change. Atmospheric ionization sources can ionize SO2 into excited states of 
, which quickly reacts with trace gases in the stratosphere. In this work we explore the reaction of 
with 
excited by tunable synchrotron radiation, leading to 
(
), where H contributes to O3 depletion and OH formation. Density Functional Theory and Variational Transition State Theory have been used to investigate the dynamics of the title barrierless and exothermic reaction. The present results suggest that solar geoengineering models should test the reactivity of 
with major trace gases in the stratosphere, such as H2 since this is a relevant channel for the OH formation during the nighttime when there is not OH production by sunlight. OH oxides SO2, triggering the chemical reactions leading to H2SO4 aerosol.
中文翻译：
太阳地球工程模型中二氧化硫自由基阳离子与氢的反应及其相关性。
在太阳能地球工程中，有人提出将SO 2用作H 2 SO 4气溶胶的前体，H 2 SO 4气溶胶是一种在平流层中具有活性的冷却剂，用以对比气候变化。大气电离源可以将SO 2电离为的激发态
，并与平流层中的痕量气体快速反应。在这项工作中，我们探索了可调谐的同步加速器辐射激发的与的反应，从而导致（
），其中H有助于O 3的耗尽和OH编队。密度泛函理论和变分过渡态理论已被用来研究标题无障碍和放热反应的动力学。目前的结果表明，太阳能地球工程模型应该测试的反应性与平流层中的主要痕量的气体，如H ^ 2，因为这是用于一个相关通道OH在夜间形成当没有OH生产太阳光。OH氧化物SO 2触发化学反应，导致H 2 SO 4气溶胶。
更新日期：2020-04-29
, which quickly reacts with trace gases in the stratosphere. In this work we explore the reaction of with excited by tunable synchrotron radiation, leading to (
), where H contributes to O3 depletion and OH formation. Density Functional Theory and Variational Transition State Theory have been used to investigate the dynamics of the title barrierless and exothermic reaction. The present results suggest that solar geoengineering models should test the reactivity of with major trace gases in the stratosphere, such as H2 since this is a relevant channel for the OH formation during the nighttime when there is not OH production by sunlight. OH oxides SO2, triggering the chemical reactions leading to H2SO4 aerosol.
中文翻译：
太阳地球工程模型中二氧化硫自由基阳离子与氢的反应及其相关性。
在太阳能地球工程中，有人提出将SO 2用作H 2 SO 4气溶胶的前体，H 2 SO 4气溶胶是一种在平流层中具有活性的冷却剂，用以对比气候变化。大气电离源可以将SO 2电离为的激发态
，并与平流层中的痕量气体快速反应。在这项工作中，我们探索了可调谐的同步加速器辐射激发的与的反应，从而导致（
），其中H有助于O 3的耗尽和OH编队。密度泛函理论和变分过渡态理论已被用来研究标题无障碍和放热反应的动力学。目前的结果表明，太阳能地球工程模型应该测试的反应性与平流层中的主要痕量的气体，如H ^ 2，因为这是用于一个相关通道OH在夜间形成当没有OH生产太阳光。OH氧化物SO 2触发化学反应，导致H 2 SO 4气溶胶。
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