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Kinetic spectroscopy study of the reaction of C2H5O2 with NO

✍ Scribed by Hiroyuki Adachi; Norman Basco


Publisher
Elsevier Science
Year
1979
Tongue
English
Weight
303 KB
Volume
64
Category
Article
ISSN
0009-2614

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✦ Synopsis


The overall rate constant for the reaction between ethylperoxy radicals and nitric oxide has been directly measured by flash photolysis and kinetic spectroscopy. At room temperature the rate constant k 7 = (1.6* 0.1) X 10' litremole-' F' has been assigned to the reaction C2H502 + NO + CzHsO + NO*_


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## Abstract The reaction of H radical with C~2~H~5~CN has been studied using various quantum chemistry methods. The geometries were optimized at the B3LYP/6‐311+G(d,p) and B3LYP/6‐311++G(2d,2p) levels. The single‐point energies were calculated using G3 and BMC‐CCSD methods based on B3LYP/6‐311++G(2