Direct measurements of DOCO isomers in the kinetics of OD + CO

Bui, Thinh Q.; Bjork, Bryce J.; Changala, P. Bryan; Nguyen, Thanh L.; Stanton, John F.; Okumura, Mitchio; Ye, Jun

doi:10.1126/sciadv.aao4777

Title: Direct measurements of DOCO isomers in the kinetics of OD + CO

Journal Article · Fri Jan 12 00:00:00 EST 2018 · Science Advances

DOI:https://doi.org/10.1126/sciadv.aao4777· OSTI ID:1499948

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Univ. of Colorado, Boulder, CO (United States). JILA. National Inst. of Standards and Technology. Dept. of Physics
Univ. of Florida, Gainesville, FL (United States). Dept. of Chemistry
California Inst. of Technology (CalTech), Pasadena, CA (United States). Arthur Amos Noyes Lab. of Chemical Physics

Quantitative and mechanistically detailed kinetics of the reaction of hydroxyl radical (OH) with carbon monoxide (CO) have been a longstanding goal of contemporary chemical kinetics. This fundamental prototype reaction plays an important role in atmospheric and combustion chemistry, motivating studies for accurate determination of the reaction rate coefficient and its pressure and temperature dependence at thermal reaction conditions. This intricate dependence can be traced directly to details of the underlying dynamics (formation, isomerization, and dissociation) involving the reactive intermediates cis- and trans-HOCO, which can only be observed transiently. Using time-resolved frequency comb spectroscopy, comprehensive mechanistic elucidation of the kinetics of the isotopic analog deuteroxyl radical (OD) with CO has been realized. By monitoring the concentrations of reactants, intermediates, and products in real time, the branching and isomerization kinetics and absolute yields of all species in the OD + CO reaction are quantified as a function of pressure and collision partner.

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Research Organization:: Univ. of Florida, Gainesville, FL (United States); California Institute of Technology (CalTech), Pasadena, CA (United States); Univ. of Colorado, Boulder, CO (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); US Air Force Office of Scientific Research (AFOSR); National Science Foundation (NSF)

Grant/Contract Number:: FG02-07ER15884; FA9550-15-1-0111 P00002; PHY-1734006; CHE-1413712

OSTI ID:: 1499948

Journal Information:: Science Advances, Vol. 4, Issue 1; ISSN 2375-2548

Publisher:: AAASCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 16 works

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