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Title: Investigation of the two- and three-fragment photodissociation of the tert -butyl peroxy radical at 248 nm

Authors:
 [1];  [1];  [1]; ORCiD logo [1]; ORCiD logo [1]
  1. Department of Chemistry, University of California, Berkeley, California 94720, USA and Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1398133
Grant/Contract Number:  
AC02-05CH11231
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Name: Journal of Chemical Physics Journal Volume: 147 Journal Issue: 13; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Country of Publication:
United States
Language:
English

Citation Formats

Nichols, Bethan, Sullivan, Erin N., Ryazanov, Mikhail, Hong, Cynthia M., and Neumark, Daniel M. Investigation of the two- and three-fragment photodissociation of the tert -butyl peroxy radical at 248 nm. United States: N. p., 2017. Web. doi:10.1063/1.4994713.
Nichols, Bethan, Sullivan, Erin N., Ryazanov, Mikhail, Hong, Cynthia M., & Neumark, Daniel M. Investigation of the two- and three-fragment photodissociation of the tert -butyl peroxy radical at 248 nm. United States. https://doi.org/10.1063/1.4994713
Nichols, Bethan, Sullivan, Erin N., Ryazanov, Mikhail, Hong, Cynthia M., and Neumark, Daniel M. Sat . "Investigation of the two- and three-fragment photodissociation of the tert -butyl peroxy radical at 248 nm". United States. https://doi.org/10.1063/1.4994713.
@article{osti_1398133,
title = {Investigation of the two- and three-fragment photodissociation of the tert -butyl peroxy radical at 248 nm},
author = {Nichols, Bethan and Sullivan, Erin N. and Ryazanov, Mikhail and Hong, Cynthia M. and Neumark, Daniel M.},
abstractNote = {},
doi = {10.1063/1.4994713},
journal = {Journal of Chemical Physics},
number = 13,
volume = 147,
place = {United States},
year = {Sat Oct 07 00:00:00 EDT 2017},
month = {Sat Oct 07 00:00:00 EDT 2017}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
https://doi.org/10.1063/1.4994713

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Cited by: 6 works
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Works referenced in this record:

New Scale Factors for Harmonic Vibrational Frequencies Using the B3LYP Density Functional Method with the Triple-ζ Basis Set 6-311+G(d,p)
journal, March 2005

  • Andersson, M. P.; Uvdal, P.
  • The Journal of Physical Chemistry A, Vol. 109, Issue 12
  • DOI: 10.1021/jp045733a

The Kinetics of the Recombination of Methyl Radicals and Iodine Atoms.
journal, June 1951

  • Marcus, R. A.; Rice, O. K.
  • The Journal of Physical Chemistry, Vol. 55, Issue 6
  • DOI: 10.1021/j150489a013

Near-IR Cavity Ringdown Spectroscopy and Kinetics of the Isomers and Conformers of the Butyl Peroxy Radical
journal, December 2005

  • Glover, Brent G.; Miller, Terry A.
  • The Journal of Physical Chemistry A, Vol. 109, Issue 49
  • DOI: 10.1021/jp054838q

Characterization of the t -Butyl Radical and Its Elusive Anion
journal, October 2012

  • Sokolov, Alexander Yu.; Mittal, Samyak; Simmonett, Andrew C.
  • Journal of Chemical Theory and Computation, Vol. 8, Issue 11
  • DOI: 10.1021/ct300753d

Further studies into the photodissociation pathways of phenylperoxyl radicals
journal, September 2015


Photo induced three body decay
journal, January 1997

  • Maul, Christof; Gericke, Karl-Heinz
  • International Reviews in Physical Chemistry, Vol. 16, Issue 1
  • DOI: 10.1080/014423597230307

Fast beam photodissociation of the CH 2 NO 2 radical
journal, December 1993

  • Cyr, D. R.; Leahy, D. J.; Osborn, D. L.
  • The Journal of Chemical Physics, Vol. 99, Issue 11
  • DOI: 10.1063/1.465597

A beam-modulated time-of-flight mass spectrometer. I. Theoretical considerations
journal, August 1973


Directly measuring reaction kinetics of ˙QOOH – a crucial but elusive intermediate in hydrocarbon autoignition
journal, January 2013

  • Zádor, Judit; Huang, Haifeng; Welz, Oliver
  • Physical Chemistry Chemical Physics, Vol. 15, Issue 26
  • DOI: 10.1039/c3cp51185e

Photodissociation Dynamics of the Thiophenoxy Radical at 248, 193, and 157 nm
journal, May 2013

  • Harrison, Aaron W.; Lim, Jeong Sik; Ryazanov, Mikhail
  • The Journal of Physical Chemistry A, Vol. 117, Issue 46
  • DOI: 10.1021/jp403229h

Reconstruction of Abel-transformable images: The Gaussian basis-set expansion Abel transform method
journal, July 2002

  • Dribinski, Vladimir; Ossadtchi, Alexei; Mandelshtam, Vladimir A.
  • Review of Scientific Instruments, Vol. 73, Issue 7
  • DOI: 10.1063/1.1482156

UV absorption cross sections and reaction kinetics and mechanisms for peroxy radicals in the gas phase
journal, June 1992

  • Wallington, T. J.; Dagaut, P.; Kurylo, M. J.
  • Chemical Reviews, Vol. 92, Issue 4
  • DOI: 10.1021/cr00012a008

Thermochemical studies of carbonyl compounds. 5. Enthalpies of reduction of carbonyl groups
journal, April 1991

  • Wiberg, Kenneth B.; Crocker, Louis S.; Morgan, Kathleen M.
  • Journal of the American Chemical Society, Vol. 113, Issue 9
  • DOI: 10.1021/ja00009a033

Three-Body Dissociative Charge Exchange Dynamics of sym -Triazine
journal, April 2009

  • Savee, John D.; Mann, Jennifer E.; Continetti, Robert E.
  • The Journal of Physical Chemistry A, Vol. 113, Issue 16
  • DOI: 10.1021/jp810365f

Effect of peroxy radical reactions on the predicted concentrations of ozone, nitrogenous compounds, and radicals
journal, September 1996

  • Kirchner, Frank; Stockwell, William R.
  • Journal of Geophysical Research: Atmospheres, Vol. 101, Issue D15
  • DOI: 10.1029/96jd01519

Kinetics of elementary reactions in low-temperature autoignition chemistry
journal, August 2011

  • Zádor, Judit; Taatjes, Craig A.; Fernandes, Ravi X.
  • Progress in Energy and Combustion Science, Vol. 37, Issue 4
  • DOI: 10.1016/j.pecs.2010.06.006

Photoelectron spectroscopy, gas phase acidity, and thermochemistry of tert -butyl hydroperoxide: Mechanisms for the rearrangement of peroxyl radicals
journal, December 1998

  • Clifford, Eileen P.; Wenthold, Paul G.; Gareyev, Roustam
  • The Journal of Chemical Physics, Vol. 109, Issue 23
  • DOI: 10.1063/1.477725

Photodissociation dynamics of the N 3 radical
journal, August 1993

  • Continetti, R. E.; Cyr, D. R.; Osborn, D. L.
  • The Journal of Chemical Physics, Vol. 99, Issue 4
  • DOI: 10.1063/1.465224

Heats of combustion, formation, and insomerization of ten C4 hydrocarbons
journal, February 1951

  • Prosen, E. J.; Maron, F. W.; Rossini, F. D.
  • Journal of Research of the National Bureau of Standards, Vol. 46, Issue 2
  • DOI: 10.6028/jres.046.015

Dalitz plot analysis of three-body fragmentation of Na[sub 3][sup +] excited by He impact
journal, January 2002

  • Babikov, D.; Gislason, E. A.; Sizun, M.
  • The Journal of Chemical Physics, Vol. 116, Issue 12
  • DOI: 10.1063/1.1455623

Algorithm 448: number of multiply-restricted partitions
journal, June 1973


Three-body photodissociation dynamics of (CO2)
journal, August 2011


Kinetics and thermochemistry of R + hydrogen bromide .dblarw. RH + bromine atom reactions: determinations of the heat of formation of ethyl, isopropyl, sec-butyl and tert-butyl radicals
journal, November 1992

  • Seakins, Paul W.; Pilling, Michael J.; Niiranen, Jukka T.
  • The Journal of Physical Chemistry, Vol. 96, Issue 24
  • DOI: 10.1021/j100203a050

Alkylperoxy and alkyl radicals. 5. IR spectra and UV photolysis of tert-butylperoxy radicals in argon plus oxygen matrixes
journal, November 1987

  • Chettur, G.; Snelson, A.
  • The Journal of Physical Chemistry, Vol. 91, Issue 23
  • DOI: 10.1021/j100307a012

Slow photoelectron velocity-map imaging of cold tert -butyl peroxide
journal, July 2017

  • DeVine, Jessalyn A.; Weichman, Marissa L.; Babin, Mark C.
  • The Journal of Chemical Physics, Vol. 147, Issue 1
  • DOI: 10.1063/1.4979951

Two- and three-body photodissociation dynamics of diiodobromide (I 2 Br ) anion
journal, April 2011

  • Crider, Paul E.; Harrison, Aaron W.; Neumark, Daniel M.
  • The Journal of Chemical Physics, Vol. 134, Issue 13
  • DOI: 10.1063/1.3571474

Investigation of 3-fragment photodissociation of O 3 at 193.4 and 157.6 nm by coincident measurements
journal, June 2014

  • Ryazanov, Mikhail; Harrison, Aaron W.; Wang, Gregory
  • The Journal of Chemical Physics, Vol. 140, Issue 23
  • DOI: 10.1063/1.4882644

Ground and lower excited states of methylperoxy radical, CH3O2: a computational investigation
journal, March 1990

  • Jafri, Jawed A.; Phillips, Donald H.
  • Journal of the American Chemical Society, Vol. 112, Issue 7
  • DOI: 10.1021/ja00163a017

Photodissociation Dynamics of HO2 at 220 nm: Determination of the O(1D):O(3P) Branching Ratio
journal, December 1994

  • Sinha, Amitabha; Coleman, Jack; Barnes, Rhett
  • The Journal of Physical Chemistry, Vol. 98, Issue 48
  • DOI: 10.1021/j100099a002

A short pulse (7 μs FWHM) and high repetition rate (dc-5kHz) cantilever piezovalve for pulsed atomic and molecular beams
journal, November 2009

  • Irimia, Daniel; Dobrikov, Dimitar; Kortekaas, Rob
  • Review of Scientific Instruments, Vol. 80, Issue 11
  • DOI: 10.1063/1.3263912

A beam-modulated time-of-flight mass spectrometer. II. Experimental work
journal, May 1974


Photodissociation dynamics of the methyl perthiyl radical at 248 and 193 nm using fast-beam photofragment translational spectroscopy
journal, July 2016

  • Harrison, Aaron W.; Ryazanov, Mikhail; Sullivan, Erin N.
  • The Journal of Chemical Physics, Vol. 145, Issue 2
  • DOI: 10.1063/1.4955195

Multiple Explosion Pathways of the Deuterated Benzene Trication in 9-fs Intense Laser Fields
journal, March 2009

  • Matsuda, Akitaka; Fushitani, Mizuho; Thomas, Richard D.
  • The Journal of Physical Chemistry A, Vol. 113, Issue 11
  • DOI: 10.1021/jp806466x

Slow photoelectron velocity-map imaging spectroscopy of C2N−, C4N−, and C6N−
journal, February 2009

  • Garand, Etienne; Yacovitch, Tara I.; Neumark, Daniel M.
  • The Journal of Chemical Physics, Vol. 130, Issue 6
  • DOI: 10.1063/1.3076320

Measured Correlated Motion of Three Massive Coulomb Interacting Particles
journal, December 1997


Direct Observation of Photodissociation Products from Phenylperoxyl Radicals Isolated in the Gas Phase
journal, June 2013

  • Maccarone, Alan T.; Kirk, Benjamin B.; Hansen, Christopher S.
  • Journal of the American Chemical Society, Vol. 135, Issue 24
  • DOI: 10.1021/ja402610s

Atmospheric chemistry of small organic peroxy radicals
journal, June 2001

  • Tyndall, G. S.; Cox, R. A.; Granier, C.
  • Journal of Geophysical Research: Atmospheres, Vol. 106, Issue D11
  • DOI: 10.1029/2000jd900746

The 248-nm photofragmentation of the peroxymethyl radical
journal, April 1990

  • Hartmann, D.; Karthaeuser, J.; Zellner, R.
  • The Journal of Physical Chemistry, Vol. 94, Issue 7
  • DOI: 10.1021/j100370a042

Analysis of kinetic energy release distributions by the maximum entropy method
journal, March 2006


Fast beam photodissociation spectroscopy and dynamics of the vinoxy radical
journal, February 1997

  • Osborn, David L.; Choi, Hyeon; Mordaunt, David H.
  • The Journal of Chemical Physics, Vol. 106, Issue 8
  • DOI: 10.1063/1.473419

Role of O 2 + QOOH in Low-Temperature Ignition of Propane. 1. Temperature and Pressure Dependent Rate Coefficients
journal, March 2012

  • Goldsmith, C. Franklin; Green, William H.; Klippenstein, Stephen J.
  • The Journal of Physical Chemistry A, Vol. 116, Issue 13
  • DOI: 10.1021/jp210722w

CXII. On the analysis of τ-meson data and the nature of the τ-meson
journal, October 1953

  • Dalitz, R. H.
  • The London, Edinburgh, and Dublin Philosophical Magazine and Journal of Science, Vol. 44, Issue 357
  • DOI: 10.1080/14786441008520365

Hydrocarbon Bond Dissociation Energies
journal, October 1982


Active Thermochemical Tables:  Accurate Enthalpy of Formation of Hydroperoxyl Radical, HO 2
journal, June 2006

  • Ruscic, Branko; Pinzon, Reinhardt E.; Morton, Melita L.
  • The Journal of Physical Chemistry A, Vol. 110, Issue 21
  • DOI: 10.1021/jp056311j

Thermodynamic Properties and Kinetic Parameters for Cyclic Ether Formation from Hydroperoxyalkyl Radicals
journal, June 2003

  • Wijaya, Catherina D.; Sumathi, Raman; Green, William H.
  • The Journal of Physical Chemistry A, Vol. 107, Issue 24
  • DOI: 10.1021/jp027471n

Analysis of Tertiary Butyl Radical + O 2 , Isobutene + HO 2 , Isobutene + OH, and Isobutene−OH Adducts + O 2 :  A Detailed Tertiary Butyl Oxidation Mechanism
journal, December 1999

  • Chen, Chiung-Ju; Bozzelli, Joseph W.
  • The Journal of Physical Chemistry A, Vol. 103, Issue 48
  • DOI: 10.1021/jp991227n

Photodissociation of tert-butyl hypochlorite and decomposition of the tert-butoxy radical fragment
journal, June 1993

  • Thelen, M. A.; Felder, P.; Frey, J. G.
  • The Journal of Physical Chemistry, Vol. 97, Issue 23
  • DOI: 10.1021/j100125a022

The fate of the tert-butyl radical in low-temperature autoignition reactions
journal, May 2017

  • Moore, Kevin B.; Turney, Justin M.; Schaefer, Henry F.
  • The Journal of Chemical Physics, Vol. 146, Issue 19
  • DOI: 10.1063/1.4983128