A systematic study on the kinetics of H-shift reactions in pristine acyl peroxy radicals
Prasenjit Seal, Shawon Barua, Siddharth Iyer, Avinash Kumar, Matti Rissanen
Abstract
A systematic study is carried out for the first time on H-shifts in pristine acyl peroxy radicals. The fastest rates were found to be in the range of 10 −2 to 10 −1 s −1 , remaining competitive even under moderately polluted atmospheric conditions.
Topics & Concepts
ChemistryNonanalRadicalHeptanalPhotochemistryDensity functional theoryOctanalHexanalComputational chemistryOrganic chemistryCatalysisAldehydeFree Radicals and AntioxidantsPhotochemistry and Electron Transfer StudiesElectron Spin Resonance Studies