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NO_2 Quantum Yield from the 248 nm Photodissociation of Peroxynitric Acid (HO_2NO_2)

Roehl, Coleen M. and Mazely, Troy L. and Friedl, Randall R. and Li, Yumin and Francisco, Joseph S. and Sander, Stanley P. (2001) NO_2 Quantum Yield from the 248 nm Photodissociation of Peroxynitric Acid (HO_2NO_2). Journal of Physical Chemistry A, 105 (9). pp. 1592-1598. ISSN 1089-5639. https://resolver.caltech.edu/CaltechAUTHORS:20170419-110417967

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Abstract

Peroxynitric acid (PNA) was photolyzed at 248 nm, and the NO_2 photoproduct was detected by laser-induced fluorescence (LIF). The quantum yield for the production of NO_2 was determined by comparison with HNO_3 photolysis data taken under identical experimental conditions. Measurements made over a range of pressures, flows, and precursor concentrations resulted in an NO_2 quantum yield of 0.56 ± 0.17, where the statistical uncertainty is 2 standard deviations. Calculations of potential energy curves for several low-lying singlet and triplet states of PNA are presented. The calculations show that while the singlet excitations occur via an n−π* transition on the NO_2 moiety, the dissociative channels forming OH + NO_3 and HO_2 + NO_2 likely occur via predissocation on different surfaces. Excitation energies at the MRCI and CCSD(T) level of theory show that excited states of PNA are not accessible at wavelengths longer than 407 nm (∼3.0 eV).


Item Type:Article
Related URLs:
URLURL TypeDescription
http://dx.doi.org/10.1021/jp001982xDOIArticle
http://pubs.acs.org/doi/abs/10.1021/jp001982xPublisherArticle
ORCID:
AuthorORCID
Roehl, Coleen M.0000-0001-5383-8462
Sander, Stanley P.0000-0003-1424-3620
Additional Information:© 2001 American Chemical Society. Received: May 31, 2000; In Final Form: October 31, 2000. Publication Date (Web): December 22, 2000. We acknowledge the technical support of Mr. Dave Natzic. The supercomputer used in this investigation was provided by funding from the NASA Offices of Earth Science, Aeronautics and Space Science. The research was carried out by the Jet Propulsion Laboratory, California Institute of Technology, under contract with the National Aeronautics and Space Administration. Support from the NASA Upper Atmosphere Research, Tropospheric Chemistry and Atmospheric Effects of Aircraft Programs is acknowledged.
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Funding AgencyGrant Number
NASA/JPL/CaltechUNSPECIFIED
Issue or Number:9
Record Number:CaltechAUTHORS:20170419-110417967
Persistent URL:https://resolver.caltech.edu/CaltechAUTHORS:20170419-110417967
Official Citation:NO2 Quantum Yield from the 248 nm Photodissociation of Peroxynitric Acid (HO2NO2) Coleen M. Roehl, Troy L. Mazely, Randall R. Friedl, Yumin Li, Joseph S. Francisco, and Stanley P. Sander The Journal of Physical Chemistry A 2001 105 (9), 1592-1598 DOI: 10.1021/jp001982x
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:76682
Collection:CaltechAUTHORS
Deposited By: Tony Diaz
Deposited On:19 Apr 2017 18:20
Last Modified:03 Oct 2019 17:04

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