On adduct formation and reactivity in the OCS + OH reaction: A combined theoretical and experimental study
Chemical Physics Letters(2017)
摘要
•OH+OCS forms an OC(OH)S adduct that is highly reactive towards O2.•Oxidation of OC(OH)S by O2 leads to formation of CO2 and SOOH.•SOOH rapidly dissociates under atmospheric conditions leading to OH-regeneration.•We predict 2-fold increase in rate constant when P is increased from 10 to 700Torr.•New experimental rate constant of (5.3±3.6)×10-15cm3s−1 at 296K and 700Torr.
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关键词
OCS,OH,SOOH,Kinetics,Computational chemistry,Relative rate
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