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Stability of the Hydrogen Trioxy Radical via Infrared Action Spectroscopy
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Abstract
The hydrogen trioxy radical (HO3) has been proposed as an intermediate in several important chemical reactions and relaxation processes involving OH in the atmosphere. In this work, the gas-phase infrared action spectrum of HO3 is obtained in the OH overtone region, along with the product state distribution of the OH fragment following dissociation. The highest observed OH product channel sets an upper limit for the HO−O2 binding energy of 6.12 kcal mol-1. The experimental stability of HO3 and derived equilibrium constant imply that up to 66% of atmospheric OH may be converted into HO3 in the tropopause region.
Citing Articles
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This article has been cited by 13 ACS Journal articles (5 most recent appear below).
Ab Initio Treatment of Bond-Breaking Reactions: Accurate Course of HO3 Dissociation and Revisit to Isomerization
A. J. C. VarandasJournal of Chemical Theory and Computation2012 Article ASAPAb Initio Treatment of Bond-Breaking Reactions: Accurate Course of HO3 Dissociation and Revisit to Isomerization
A. J. C. VarandasJournal of Chemical Theory and Computation2012 Article ASAPAn efficient scheme is devised for accurate studies of bond-breaking/forming reactions and illustrated for HO3. It is suggested and numerically demonstrated that an accurate dissociation path for the title system can be obtained by defining the central OO ...
On the Dissociation of Ground State trans-HOOO Radical: A Theoretical Study
Josep M. Anglada, Santiago Olivella, and Albert SoléJournal of Chemical Theory and Computation2010 6 (9), 2743-2750On the Dissociation of Ground State trans-HOOO Radical: A Theoretical Study
Josep M. Anglada, Santiago Olivella, and Albert SoléJournal of Chemical Theory and Computation2010 6 (9), 2743-2750The hydrotrioxyl radical (HOOO•) plays a crucial role in atmospheric processes involving the hydroxyl radical (HO•) and molecular oxygen (O2). The equilibrium geometry of the electronic ground state (X 2A′′) of the trans conformer of HOOO• and its ...
Dissociation Energy of the HOOO Radical
Mychel E. Varner, Michael E. Harding, Juana Vázquez, Jürgen Gauss and John F. StantonThe Journal of Physical Chemistry A2009 113 (42), 11238-11241Dissociation Energy of the HOOO Radical
Mychel E. Varner, Michael E. Harding, Juana Vázquez, Jürgen Gauss and John F. StantonThe Journal of Physical Chemistry A2009 113 (42), 11238-11241The dissociation of the hydrotrioxy (HOOO) radical to OH and O2 has been studied theoretically using coupled-cluster methods. The calculated dissociation energy for the trans-HOOO isomer is 2.5 kcal mol−1 including zero-point corrections. The minimum ...
Heats of Formation of the H1,2OmSn (m, n = 0−3) Molecules from Electronic Structure Calculations
Daniel J. Grant and David A. Dixon, Joseph S. Francisco, David Feller and Kirk A. PetersonThe Journal of Physical Chemistry A2009 113 (42), 11343-11353Heats of Formation of the H1,2OmSn (m, n = 0−3) Molecules from Electronic Structure Calculations
Daniel J. Grant and David A. Dixon, Joseph S. Francisco, David Feller and Kirk A. PetersonThe Journal of Physical Chemistry A2009 113 (42), 11343-11353Atomization energies at 0 K and heats of formation at 0 and 298 K are predicted from high level ab initio electronic structure calculations using the coupled cluster CCSD(T) method with augmented correlation-consistent basis sets extrapolated to the ...
Quantum State Distribution of the OH X2Π Products from Collisional Quenching of OH A2Σ+ by O2 and CO2
Logan P. Dempsey, Timothy D. Sechler, Craig Murray and Marsha I. LesterThe Journal of Physical Chemistry A2009 113 (25), 6851-6858Quantum State Distribution of the OH X2Π Products from Collisional Quenching of OH A2Σ+ by O2 and CO2
Logan P. Dempsey, Timothy D. Sechler, Craig Murray and Marsha I. LesterThe Journal of Physical Chemistry A2009 113 (25), 6851-6858The OH X2Π product state distribution arising from quenching of electronically excited OH A2Σ+ by O2 and CO2 under single collision conditions has been determined using a pump−probe technique. For both collision partners, the majority of OH X2Π products ...
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History
- Published In Issue June 07, 2007
- Received February 21, 2007
Revised March 12, 2007
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