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Kinetics of the Gas-Phase Reactions of <i>syn</i>- and <i>anti</i>-CH<sub>3</sub>CHOO Criegee Intermediate Conformers with SO<sub>2</sub> as a Function of Temperature and Pressure

Rachel Lade, Lavinia Onel, Mark A. Blitz, Paul W. Seakins, Daniel Stone

2024The Journal of Physical Chemistry A10 citationsDOIOpen Access PDF

Abstract

High Resolution Image Download MS PowerPoint Slide Kinetics of reactions between SO 2 and CH 3 CHOO Criegee intermediate conformers have been measured at temperatures between 242 and 353 K and pressures between 10 and 600 Torr using laser flash photolysis of CH 3 CHI 2 /O 2 /N 2 /SO 2 gas mixtures coupled with time-resolved broadband UV absorption spectroscopy. The kinetics of syn -CH 3 CHOO + SO 2 are pressure-dependent and exhibit a negative temperature dependence, with the observed pressure dependence reconciling apparent discrepancies between previous measurements performed at ∼298 K. Results indicate a rate coefficient of (4.80 ± 0.46) × 10 –11 cm 3 s –1 for the reaction of syn -CH 3 CHOO with SO 2 at 298 K and 760 Torr. In contrast to the behavior of the syn -conformer, the kinetics of anti -CH 3 CHOO + SO 2 display no significant dependence on temperature or pressure over the ranges investigated, with a mean rate coefficient of (1.18 ± 0.21) × 10 –10 cm 3 s –1 over all conditions studied in this work. Results indicate that the reaction of syn -CH 3 CHOO with SO 2 competes with unimolecular decomposition and reaction with water vapor in areas with high SO 2 concentration and low humidity, particularly at lower temperatures.

Topics & Concepts

KineticsGas phaseConformational isomerismChemistryPhase (matter)Function (biology)CrystallographyThermodynamicsStereochemistryPhysical chemistryOrganic chemistryPhysicsMoleculeBiologyQuantum mechanicsEvolutionary biologyMolecular Spectroscopy and StructureChemical Thermodynamics and Molecular StructureAtmospheric chemistry and aerosols