Unimolecular decomposition kinetics of the stabilised Criegee intermediates CH 2 OO and CD 2 OO
Abstract
Decomposition kinetics of stabilised CH 2 OO and CD 2 OO Criegee intermediates have been investigated as a function of temperature (450–650 K) and pressure (2–350 Torr) using flash photolysis coupled with time-resolved cavity-enhanced broadband UV absorption spectroscopy.
- Authors:
-
[1];
[1];
[1];
[1];
[2]
- School of Chemistry, University of Leeds, Leeds, UK
- Combustion Research Facility, Sandia National Laboratories, Livermore, USA
- Publication Date:
- Research Org.:
- Sandia National Lab. (SNL-CA), Livermore, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1477897
- Alternate Identifier(s):
- OSTI ID: 1471779; OSTI ID: 1474125
- Report Number(s):
- SAND-2018-8055J
Journal ID: ISSN 1463-9076; PPCPFQ
- Grant/Contract Number:
- AC04-94AL85000
- Resource Type:
- Published Article
- Journal Name:
- Physical Chemistry Chemical Physics. PCCP
- Additional Journal Information:
- Journal Name: Physical Chemistry Chemical Physics. PCCP Journal Volume: 20 Journal Issue: 38; Journal ID: ISSN 1463-9076
- Publisher:
- Royal Society of Chemistry (RSC)
- Country of Publication:
- United Kingdom
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Citation Formats
Stone, Daniel, Au, Kendrew, Sime, Samantha, Medeiros, Diogo J., Blitz, Mark, Seakins, Paul W., Decker, Zachary, and Sheps, Leonid. Unimolecular decomposition kinetics of the stabilised Criegee intermediates CH 2 OO and CD 2 OO. United Kingdom: N. p., 2018.
Web. doi:10.1039/C8CP05332D.
Stone, Daniel, Au, Kendrew, Sime, Samantha, Medeiros, Diogo J., Blitz, Mark, Seakins, Paul W., Decker, Zachary, & Sheps, Leonid. Unimolecular decomposition kinetics of the stabilised Criegee intermediates CH 2 OO and CD 2 OO. United Kingdom. https://doi.org/10.1039/C8CP05332D
Stone, Daniel, Au, Kendrew, Sime, Samantha, Medeiros, Diogo J., Blitz, Mark, Seakins, Paul W., Decker, Zachary, and Sheps, Leonid. Wed .
"Unimolecular decomposition kinetics of the stabilised Criegee intermediates CH 2 OO and CD 2 OO". United Kingdom. https://doi.org/10.1039/C8CP05332D.
@article{osti_1477897,
title = {Unimolecular decomposition kinetics of the stabilised Criegee intermediates CH 2 OO and CD 2 OO},
author = {Stone, Daniel and Au, Kendrew and Sime, Samantha and Medeiros, Diogo J. and Blitz, Mark and Seakins, Paul W. and Decker, Zachary and Sheps, Leonid},
abstractNote = {Decomposition kinetics of stabilised CH 2 OO and CD 2 OO Criegee intermediates have been investigated as a function of temperature (450–650 K) and pressure (2–350 Torr) using flash photolysis coupled with time-resolved cavity-enhanced broadband UV absorption spectroscopy.},
doi = {10.1039/C8CP05332D},
journal = {Physical Chemistry Chemical Physics. PCCP},
number = 38,
volume = 20,
place = {United Kingdom},
year = {Wed Oct 03 00:00:00 EDT 2018},
month = {Wed Oct 03 00:00:00 EDT 2018}
}
Free Publicly Available Full Text
Publisher's Version of Record
https://doi.org/10.1039/C8CP05332D
https://doi.org/10.1039/C8CP05332D
Other availability
Search WorldCat to find libraries that may hold this journal
Cited by: 36 works
Citation information provided by
Web of Science
Web of Science
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.
Works referenced in this record:
MESMER: An Open-Source Master Equation Solver for Multi-Energy Well Reactions
journal, September 2012
- Glowacki, David R.; Liang, Chi-Hsiu; Morley, Christopher
- The Journal of Physical Chemistry A, Vol. 116, Issue 38
Atmospheric fates of Criegee intermediates in the ozonolysis of isoprene
journal, January 2016
- Nguyen, Tran B.; Tyndall, Geoffrey S.; Crounse, John D.
- Physical Chemistry Chemical Physics, Vol. 18, Issue 15
CH2OO Criegee biradical yields following photolysis of CH2I2 in O2
journal, January 2013
- Stone, Daniel; Blitz, Mark; Daubney, Laura
- Physical Chemistry Chemical Physics, Vol. 15, Issue 44
Research frontiers in the chemistry of Criegee intermediates and tropospheric ozonolysis
journal, January 2014
- Taatjes, Craig A.; Shallcross, Dudley E.; Percival, Carl J.
- Physical Chemistry Chemical Physics, Vol. 16, Issue 5
Nascent energy distribution of the Criegee intermediate CH 2 OO from direct dynamics calculations of primary ozonide dissociation
journal, May 2018
- Pfeifle, Mark; Ma, Yong-Tao; Jasper, Ahren W.
- The Journal of Chemical Physics, Vol. 148, Issue 17
Direct observation of OH formation from stabilised Criegee intermediates
journal, January 2014
- Novelli, A.; Vereecken, L.; Lelieveld, J.
- Phys. Chem. Chem. Phys., Vol. 16, Issue 37
Competing atmospheric reactions of CH 2 OO with SO 2 and water vapour
journal, January 2014
- Berndt, Torsten; Voigtländer, Jens; Stratmann, Frank
- Physical Chemistry Chemical Physics, Vol. 16, Issue 36
Experimental and Master Equation Study of the Kinetics of OH + C 2 H 2 : Temperature Dependence of the Limiting High Pressure and Pressure Dependent Rate Coefficients †
journal, May 2007
- McKee, Kenneth W.; Blitz, Mark A.; Cleary, Patricia A.
- The Journal of Physical Chemistry A, Vol. 111, Issue 19
Absolute Ultraviolet Absorption Spectrum of a Criegee Intermediate CH 2 OO
journal, November 2013
- Sheps, Leonid
- The Journal of Physical Chemistry Letters, Vol. 4, Issue 24
UV Spectrum of the Simplest Deuterated Criegee Intermediate CD 2 OO : UV Spectrum of CD
journal, March 2017
- Ting, Allen Wei-Lun; Lin, Jim Jr-Min
- Journal of the Chinese Chemical Society, Vol. 64, Issue 4
Unimolecular dissociation dynamics of vibrationally activated CH3CHOO Criegee intermediates to OH radical products
journal, April 2016
- Kidwell, Nathanael M.; Li, Hongwei; Wang, Xiaohong
- Nature Chemistry, Vol. 8, Issue 5
Energetics, Kinetics, and Product Distributions of the Reactions of Ozone with Ethene and 2,3-Dimethyl-2-butene
journal, December 1997
- Olzmann, M.; Kraka, E.; Cremer, D.
- The Journal of Physical Chemistry A, Vol. 101, Issue 49
Benchmark calculations with correlated molecular wave functions. IV. The classical barrier height of the H+H 2 →H 2 +H reaction
journal, May 1994
- Peterson, Kirk A.; Woon, David E.; Dunning, Thom H.
- The Journal of Chemical Physics, Vol. 100, Issue 10
Evaluated kinetic and photochemical data for atmospheric chemistry: Volume I - gas phase reactions of O<sub>x</sub>, HO<sub>x</sub>, NO<sub>x</sub> and SO<sub>x</sub> species
journal, January 2004
- Atkinson, R.; Baulch, D. L.; Cox, R. A.
- Atmospheric Chemistry and Physics, Vol. 4, Issue 6
Direct experimental probing and theoretical analysis of the reaction between the simplest Criegee intermediate CH 2 OO and isoprene
journal, January 2017
- Decker, Z. C. J.; Au, K.; Vereecken, L.
- Physical Chemistry Chemical Physics, Vol. 19, Issue 12
Hybrid Density Functional Theory Predictions of Low-Temperature Dimethyl Ether Combustion Pathways. II. Chain-Branching Energetics and Possible Role of the Criegee Intermediate
journal, November 2003
- Andersen, Amity; Carter, Emily A.
- The Journal of Physical Chemistry A, Vol. 107, Issue 44
Global Uncertainty Propagation and Sensitivity Analysis in the CH 3 OCH 2 + O 2 System: Combining Experiment and Theory To Constrain Key Rate Coefficients in DME Combustion
journal, February 2015
- Shannon, R. J.; Tomlin, A. S.; Robertson, S. H.
- The Journal of Physical Chemistry A, Vol. 119, Issue 28
Stabilization of the Simplest Criegee Intermediate from the Reaction between Ozone and Ethylene: A High-Level Quantum Chemical and Kinetic Analysis of Ozonolysis
journal, May 2015
- Nguyen, Thanh Lam; Lee, Hyunwoo; Matthews, Devin A.
- The Journal of Physical Chemistry A, Vol. 119, Issue 22
Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen
journal, January 1989
- Dunning, Thom H.
- The Journal of Chemical Physics, Vol. 90, Issue 2
Predictive possibilities of unimolecular rate theory
journal, January 1979
- Troe, J.
- The Journal of Physical Chemistry, Vol. 83, Issue 1
A combined experimental and theoretical study of the reaction between methylglyoxal and OH/OD radical: OH regeneration
journal, January 2007
- Baeza-Romero, M. Teresa; Glowacki, David R.; Blitz, Mark A.
- Physical Chemistry Chemical Physics, Vol. 9, Issue 31
The physical chemistry of Criegee intermediates in the gas phase
journal, July 2015
- Osborn, David L.; Taatjes, Craig A.
- International Reviews in Physical Chemistry, Vol. 34, Issue 3
OH yields from the CH3CO+O2 reaction using an internal standard
journal, September 2007
- Carr, Scott A.; Baeza-Romero, M. Teresa; Blitz, Mark A.
- Chemical Physics Letters, Vol. 445, Issue 4-6
Electron affinities of the first‐row atoms revisited. Systematic basis sets and wave functions
journal, May 1992
- Kendall, Rick A.; Dunning, Thom H.; Harrison, Robert J.
- The Journal of Chemical Physics, Vol. 96, Issue 9
First-principles-derived kinetics of the reactions involved in low-temperature dimethyl ether oxidation
journal, February 2008
- Andersen, Amity; Carter, Emily A.
- Molecular Physics, Vol. 106, Issue 2-4
Interception of Excited Vibrational Quantum States by O2 in Atmospheric Association Reactions
journal, August 2012
- Glowacki, D. R.; Lockhart, J.; Blitz, M. A.
- Science, Vol. 337, Issue 6098
Gaussian basis sets for use in correlated molecular calculations. III. The atoms aluminum through argon
journal, January 1993
- Woon, David E.; Dunning, Thom H.
- The Journal of Chemical Physics, Vol. 98, Issue 2
The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals
journal, July 2007
- Zhao, Yan; Truhlar, Donald G.
- Theoretical Chemistry Accounts, Vol. 120, Issue 1-3
UV absorption probing of the conformer-dependent reactivity of a Criegee intermediate CH 3 CHOO
journal, January 2014
- Sheps, Leonid; Scully, Ashley M.; Au, Kendrew
- Phys. Chem. Chem. Phys., Vol. 16, Issue 48
Unimolecular Decomposition Rate of the Criegee Intermediate (CH 3 ) 2 COO Measured Directly with UV Absorption Spectroscopy
journal, February 2016
- Smith, Mica C.; Chao, Wen; Takahashi, Kaito
- The Journal of Physical Chemistry A, Vol. 120, Issue 27
Gaussian basis sets for use in correlated molecular calculations. VI. Sextuple zeta correlation consistent basis sets for boron through neon
journal, December 1996
- Wilson, Angela K.; van Mourik, Tanja; Dunning, Thom H.
- Journal of Molecular Structure: THEOCHEM, Vol. 388
Representation of “Broad” Falloff Curves for Dissociation and Recombination Reactions
journal, January 2014
- Troe, Jürgen; Ushakov, Vladimir G.
- Zeitschrift für Physikalische Chemie, Vol. 228, Issue 1
Ion imaging studies of the photodissociation dynamics of CH2I2 at 248nm
journal, December 2013
- Lehman, Julia H.; Li, Hongwei; Lester, Marsha I.
- Chemical Physics Letters, Vol. 590
Direct observation of unimolecular decay of CH 3 CH 2 CHOO Criegee intermediates to OH radical products
journal, July 2016
- Fang, Yi; Liu, Fang; Klippenstein, Stephen J.
- The Journal of Chemical Physics, Vol. 145, Issue 4
Measuring Rate Constants for Reactions of the Simplest Criegee Intermediate (CH 2 OO) by Monitoring the OH Radical
journal, January 2014
- Liu, Yingdi; Bayes, Kyle D.; Sander, Stanley P.
- The Journal of Physical Chemistry A, Vol. 118, Issue 4
Direct Measurements of Unimolecular and Bimolecular Reaction Kinetics of the Criegee Intermediate (CH 3 ) 2 COO
journal, December 2016
- Chhantyal-Pun, Rabi; Welz, Oliver; Savee, John D.
- The Journal of Physical Chemistry A, Vol. 121, Issue 1
A kinetic study of the CH 2 OO Criegee intermediate self-reaction, reaction with SO 2 and unimolecular reaction using cavity ring-down spectroscopy
journal, January 2015
- Chhantyal-Pun, Rabi; Davey, Anthony; Shallcross, Dudley E.
- Physical Chemistry Chemical Physics, Vol. 17, Issue 5
Kinetics of CH 2 OO reactions with SO 2 , NO 2 , NO, H 2 O and CH 3 CHO as a function of pressure
journal, January 2014
- Stone, Daniel; Blitz, Mark; Daubney, Laura
- Phys. Chem. Chem. Phys., Vol. 16, Issue 3
The gas-phase ozonolysis of unsaturated volatile organic compounds in the troposphere
journal, January 2008
- Johnson, David; Marston, George
- Chemical Society Reviews, Vol. 37, Issue 4
Rate coefficients for the relaxation of OH (v=1) by O2 at temperatures from 204–371K and by N2O from 243–372K
journal, April 2006
- McCabe, D. C.; Smith, I. W. M.; Rajakumar, B.
- Chemical Physics Letters, Vol. 421, Issue 1-3
A kinetic study of the CH 2 OO Criegee intermediate reaction with SO 2 , (H 2 O) 2 , CH 2 I 2 and I atoms using OH laser induced fluorescence
journal, January 2017
- Liu, Yiqiang; Liu, Fenghua; Liu, Siyue
- Physical Chemistry Chemical Physics, Vol. 19, Issue 31
Kinetics of stabilised Criegee intermediates derived from alkene ozonolysis: reactions with SO 2 , H 2 O and decomposition under boundary layer conditions
journal, January 2015
- Newland, Mike J.; Rickard, Andrew R.; Alam, Mohammed S.
- Physical Chemistry Chemical Physics, Vol. 17, Issue 6
Kinetics of the unimolecular reaction of CH 2 OO and the bimolecular reactions with the water monomer, acetaldehyde and acetone under atmospheric conditions
journal, January 2015
- Berndt, Torsten; Kaethner, Ralf; Voigtländer, Jens
- Physical Chemistry Chemical Physics, Vol. 17, Issue 30
Temperature and Pressure-Dependent Rate Coefficients for the Reaction of Vinyl Radical with Molecular Oxygen
journal, February 2015
- Goldsmith, C. Franklin; Harding, Lawrence B.; Georgievskii, Yuri
- The Journal of Physical Chemistry A, Vol. 119, Issue 28
Atmospheric isoprene ozonolysis: impacts of stabilised Criegee intermediate reactions with SO 2 , H 2 O and dimethyl sulfide
journal, January 2015
- Newland, M. J.; Rickard, A. R.; Vereecken, L.
- Atmospheric Chemistry and Physics, Vol. 15, Issue 16