Skip to main content
OSTI.GOVU.S. Department of Energy Office of Scientific and Technical Information
U.S. Department of Energy
Office of Scientific and Technical Information
 

Reaction Pathway Control via Reactant Vibrational Excitation and Impact on Product Vibrational Distributions: The O + HO 2 → OH + O 2 Atmospheric Reaction

Journal Article · · Journal of Physical Chemistry Letters
 [1];  [2];  [3];  [2];  [4]
  1. Institute of Theoretical and Computational Chemistry, Key Laboratory of Mesoscopic Chemistry, School of Chemistry and Chemical Engineering, Nanjing University, Nanjing 210023, China; OSTI
  2. Institute of Theoretical and Computational Chemistry, Key Laboratory of Mesoscopic Chemistry, School of Chemistry and Chemical Engineering, Nanjing University, Nanjing 210023, China
  3. Kuang Yaming Honors School, Institute for Brain Sciences, Nanjing University, Nanjing 210023, China
  4. Department of Chemistry and Chemical Biology, University of New Mexico, Albuquerque, New Mexico 87131, United States
+ Show Author Affiliations
Not provided.
Research Organization:
Univ. of New Mexico, Albuquerque, NM (United States)
Sponsoring Organization:
USDOE Office of Science (SC)
DOE Contract Number:
SC0015997;
OSTI ID:
1978103
Journal Information:
Journal of Physical Chemistry Letters, Journal Name: Journal of Physical Chemistry Letters Journal Issue: 7 Vol. 13; ISSN 1948-7185
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English

References (38)

On the “Ozone Deficit Problem”: What Are Ox and HOx Catalytic Cycles for Ozone Depletion Hiding? journal May 2002
Vectorization of the general Monte Carlo classical trajectory program VENUS journal October 1991
Odd-hydrogen: An account on electronic structure, kinetics, and role of water in mediating reactions with atmospheric ozone. Just a catalyst or far beyond? journal November 2013
Molecular Spectra and Molecular Structure book January 1979
The quenching of OH∗ in the atmosphere journal June 1978
Altitude distribution of vibrationally excited states of atmospheric hydroxyl at levels v = 2 to v = 7 journal August 1987
Ab initio theoretical calculation and potential energy surface for ground-state HO3 journal February 2001
Molecular Reaction Dynamics book January 2005
Theoretical Investigations of Rate Coefficients for H + O 3 and HO 2 + O Reactions on a Full-Dimensional Potential Energy Surface journal July 2020
Advances and New Challenges to Bimolecular Reaction Dynamics Theory journal September 2020
Insights into the Formation of Hydroxyl Radicals with Nonthermal Vibrational Excitation in the Meinel Airglow journal February 2021
The Sudden Vector Projection Model for Reactivity: Mode Specificity and Bond Selectivity Made Simple journal October 2014
A VTST Study of the H + O 3 and O + HO 2 Reactions Using a Six-dimensional DMBE Potential Energy Surface for Ground State HO 3 journal April 2002
Steady-State Distributions of O 2 and OH in the High Atmosphere and Implications in the Ozone Chemistry journal April 2003
Are Vibrationally Excited Molecules a Clue for the “O 3 Deficit Problem” and “HO x Dilemma” in the Middle Atmosphere? journal January 2004
Dynamics Study of the O + HO 2 Reaction Using Two DMBE Potential Energy Surfaces:  The Role of Vibrational Excitation † journal October 2004
Quasiclassical Trajectory Study of the Environmental Reaction O + HO 2 → OH + O 2 journal August 1998
A Theoretical Study of the Potential Energy Surface and Rate Constant for an O( 3 P) + HO 2 Reaction journal April 2000
Using TIMED/SABER nightglow observations to investigate hydroxyl emission mechanisms in the mesopause region: MECHANISMS OF OH NIGHTGLOW EMISSION journal January 2012
Simultaneous measurements of OH(9,4), (8,3), (7,2), (6,2) and (5,1) bands in the airglow journal January 1981
Temperature and chemistry of the polar mesopause OH journal January 1987
Kinetic parameters related to sources and sinks of vibrationally excited OH in the nightglow journal January 1987
On the possible role of the reaction O + HO 2 → OH + O 2 in OH airglow journal January 1988
The photochemistry of atmospheric water vapor journal September 1950
Control of chemical reactivity by transition-state and beyond journal January 2016
Crossed beam polyatomic reaction dynamics: recent advances and new insights journal January 2017
An ab initio based full-dimensional potential energy surface for OH + O 2 ⇄ HO 3 and low-lying vibrational levels of HO 3 journal January 2019
Stereodynamical control of product branching in multi-channel barrierless hydrogen abstraction of CH 3 OH by F journal January 2019
Theoretical H + O 3 rate coefficients from ring polymer molecular dynamics on an accurate global potential energy surface: assessing experimental uncertainties journal January 2021
Dynamics of the OH(v = 1,2,4) + O3 atmospheric reaction journal January 2001
Detailed course of the O+HO 2 reaction journal January 1985
Theoretical study of the H+O 3 ↔OH+O 2 ↔O+HO 2 system journal March 1986
Relative efficacy of vibrational vs. translational excitation in promoting atom-diatom reactivity: Rigorous examination of Polanyi's rules and proposition of sudden vector projection (SVP) model journal June 2013
Vibrational and electronic energy levels of polyatomic transient molecules: Supplement 1 journal November 1990
Double many-body expansion potential energy surface for ground-state HO3 journal June 1997
Reaction dynamics of oxygen atoms with unsaturated hydrocarbons from crossed molecular beam studies: primary products, branching ratios and role of intersystem crossing journal April 2015
Potential energy surfaces from high fidelity fitting of ab initio points: the permutation invariant polynomial - neural network approach journal July 2016
Vibrational population distribution in the hydroxyl night airglow journal February 1983

Similar Records

Impact of Geometric Phase on Dynamics of Complex-Forming Reactions: H + O 2 → OH + O
Journal Article · 2024 · Journal of Physical Chemistry Letters · OSTI ID:2577545
Reaction of SO 2 with OH in the atmosphere
Journal Article · 2016 · Physical Chemistry Chemical Physics. PCCP (Print) · OSTI ID:1535189

Related Subjects

Chemistry
Materials Science
Physics
Science & Technology - Other Topics