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Record 30 of 474
Hydrogen atom migration in the oxidation of aldehydes - O(3P) + H2CO
External Online Source: doi:10.1063/1.447248
Author and Affiliation:
Dupuis, M.(California Univ., Berkeley, CA, United States)
Lester, W. A., Jr.(California, University, Berkeley, CA, United States)
Abstract: An ab initio study of hydrogen atom migration in methylenebis(oxy)H2CO2(3B2) to form triplet formic acid HCOOH (3A1) is reported. From HF, MCHF, and CI calculated energy barriers, the activation energy is estimated to be no less than 30 kcal/mol. It is concluded that the hydrogen migration channel is not accessible in recent room temperature experiments on the O(3P) + H2CO reaction.
Publication Date: May 01, 1984
Document ID:
19840050378
(Acquired Nov 28, 1995)
Accession Number: 84A33165
Subject Category: CHEMISTRY AND MATERIALS (GENERAL)
Document Type: Journal Article
Publication Information: Journal of Chemical Physics; p. 4193-419; (ISSN 0021-9606); 80
Publisher Information: United States
Contract/Grant/Task Num: NASA ORDER A-86130-B; DE-AC03-76SF-00098
Financial Sponsor: NASA; United States
Organization Source: California Univ.; Berkeley, CA, United States
Description: 3p; In English
Distribution Limits: Unclassified; Publicly available; Unlimited
Rights: Copyright
NASA Terms: ALDEHYDES; ATOMIC MOBILITIES; FORMIC ACID; HYDROGEN ATOMS; OXIDATION; REACTION KINETICS; ATOMIC ENERGY LEVELS; CONFIGURATION INTERACTION; GROUND STATE
Imprint And Other Notes: Journal of Chemical Physics (ISSN 0021-9606), vol. 80, May 1, 1984, p. 4193-4195.
Availability Source: Other Sources
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