Crossed molecular beam experiments were performed to elucidate the chemical dynamics of the para-tolyl (CHCH) radical reaction with molecular oxygen (O) at an average collision energy of 35.3 ± 1.4 kJ mol. Combined with theoretical calculations, the results show that para-tolyl is efficiently oxidized by molecular oxygen to para-toloxy (CHCHO) plus ground-state atomic oxygen via a complex forming, overall exoergic reaction (experimental, -33 ± 16 kJ mol; computational, -42 ± 8 kJ mol). The reaction dynamics are analogous to those observed for the phenyl (CH) plus molecular oxygen system which suggests the methyl group is a spectator during para-tolyl oxidation and that application of phenyl thermochemistry and reaction rates to para-substituted aryls is likely a suitable approximation.
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http://dx.doi.org/10.1021/acs.jpclett.6b02357 | DOI Listing |
Ecotoxicol Environ Saf
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State Key Laboratory for Biology of Plant Diseases and Insect Pests, Institute of Plant Protection, Chinese Academy of Agricultural Sciences, Beijing 100193, China. Electronic address:
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Greg Marzolf Jr. Muscular Dystrophy Center and Department of Neurology, University of Minnesota Medical School, Minneapolis, MN, USA.
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Department of Clinical Laboratory Sciences, College of Applied Medical Sciences, King Saud University, Riyadh, Saudi Arabia.
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