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Reaction of OH with HO2NO2 (Peroxynitric Acid):  Rate Coefficients between 218 and 335 K and Product Yields at 298 K

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Aeronomy Laboratory, National Oceanic and Atmospheric Administration, 325 Broadway, Boulder, Colorado 80305-3328, and Cooperative Institute for Research in Environmental Sciences, University of Colorado, Boulder, Colorado 80309
Cite this: J. Phys. Chem. A 2004, 108, 7, 1139–1149
Publication Date (Web):January 24, 2004
https://doi.org/10.1021/jp0363489
Copyright © 2004 American Chemical Society
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Abstract

Rate coefficients (k3(T)) for the reaction of OH with HO2NO2 (peroxynitric acid, PNA) in the gas phase were measured in the temperature range of 218−335 K by producing OH via pulsed laser photolysis and detecting it via laser-induced fluorescence. The PNA concentration was measured in situ by UV and IR absorption. The H2O2, HNO3, and NO2 impurities present in the PNA sample were quantified by mass spectrometry and/or UV/IR absorption. The measured value of k3(298 K) is (3.4 ± 1.0) × 10-12 cm3 molecule-1 s-1. The temperature dependence of k3 is best described by the relation k3(T) = (8.8 ± 2.6) × 10-19T2 exp[(1130 ± 20)/T] cm3 molecule-1 s-1. The quoted errors for k3 are at the 2σ level and include estimated systematic errors, which contribute the most to this uncertainty. The measured values of k3(T) were independent of pressure between 10 and 100 Torr of helium. The branching ratios of the reaction OH + HO2NO2 → products, for the production of HO2 and HNO3 and of NO3 and H2O2, respectively, were determined to be <10% and <5%, respectively, at 298 K. Thus, it was deduced that the main pathway for reaction 3 produces H2O, O2, and NO2 at 298 K. Our measurements reduce the uncertainties but do not significantly alter the currently calculated impacts of HO2NO2 in the upper troposphere and lower stratosphere. In the course of this study, the rate coefficient for the reaction of OH with H2O2 was measured to be k4(T) = (2.9 ± 1.8) × 10-12 exp[−(110 ± 150)/T] cm3 molecule-1 s-1 in the temperature range of 273−356 K.

†

 National Oceanic and Atmospheric Administration.

‡

 University of Colorado.

§

 Current address:  Departamento de Química Física. Facultad de Ciencias Químicas. Universidad de Castilla-La Mancha, Camilo José Cela, 10, 13071 Ciudad Real, Spain.

⊥

 Permanent address:  Department of Chemistry, Warsaw University, ul. Zwirki i Wigury 101, 02-089, Warsaw, Poland.

*

 Author to whom correspondence should be addressed. E-mail:  [email protected]

#

 Also associated with the Department of Chemistry and Biochemistry, University of Colorado, Boulder, CO 80309.

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