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Title: Formation and stability of gas-phase o-benzoquinone from oxidation of ortho-hydroxyphenyl: A combined neutral and distonic radical study

Abstract

Theo-hydroxyphenyl radical reacts with O2to formo-benzoquinone + OH and cyclopentadienone is assigned as a secondary product.

Authors:
 [1];  [2];  [3];  [3];  [3];  [4];  [4];  [5];  [1]
+ Show Author Affiliations
  1. Univ. of Wollongong, Wollongong (Australia)
  2. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
  3. Sandia National Lab. (SNL-CA), Livermore, CA (United States)
  4. Queensland Univ. of Technology, Brisbane (Australia)
  5. The Univ. of Melbourne, Melbourne (Australia)
Publication Date:
Research Org.:
Sandia National Lab. (SNL-CA), Livermore, CA (United States); Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Advanced Research Projects Agency - Energy (ARPA-E)
OSTI Identifier:
1329619
Alternate Identifier(s):
OSTI ID: 1439984
Report Number(s):
SAND-2016-10073J
Journal ID: ISSN 1463-9076; PPCPFQ; 648109
Grant/Contract Number:  
AC04-94AL85000; AC02-05CH11231
Resource Type:
Accepted Manuscript
Journal Name:
Physical Chemistry Chemical Physics. PCCP
Additional Journal Information:
Journal Volume: 18; Journal Issue: 6; Journal ID: ISSN 1463-9076
Publisher:
Royal Society of Chemistry
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

Prendergast, Matthew B., Kirk, Benjamin B., Savee, John D., Osborn, David L., Taatjes, Craig A., Masters, Kye -Simeon, Blanksby, Stephen J., da Silva, Gabriel, and Trevitt, Adam J. Formation and stability of gas-phase o-benzoquinone from oxidation of ortho-hydroxyphenyl: A combined neutral and distonic radical study. United States: N. p., 2015. Web. doi:10.1039/C5CP02953H.
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Prendergast, Matthew B., Kirk, Benjamin B., Savee, John D., Osborn, David L., Taatjes, Craig A., Masters, Kye -Simeon, Blanksby, Stephen J., da Silva, Gabriel, & Trevitt, Adam J. Formation and stability of gas-phase o-benzoquinone from oxidation of ortho-hydroxyphenyl: A combined neutral and distonic radical study. United States. https://doi.org/10.1039/C5CP02953H
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Prendergast, Matthew B., Kirk, Benjamin B., Savee, John D., Osborn, David L., Taatjes, Craig A., Masters, Kye -Simeon, Blanksby, Stephen J., da Silva, Gabriel, and Trevitt, Adam J. Mon . "Formation and stability of gas-phase o-benzoquinone from oxidation of ortho-hydroxyphenyl: A combined neutral and distonic radical study". United States. https://doi.org/10.1039/C5CP02953H. https://www.osti.gov/servlets/purl/1329619.
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@article{osti_1329619,
title = {Formation and stability of gas-phase o-benzoquinone from oxidation of ortho-hydroxyphenyl: A combined neutral and distonic radical study},
author = {Prendergast, Matthew B. and Kirk, Benjamin B. and Savee, John D. and Osborn, David L. and Taatjes, Craig A. and Masters, Kye -Simeon and Blanksby, Stephen J. and da Silva, Gabriel and Trevitt, Adam J.},
abstractNote = {Theo-hydroxyphenyl radical reacts with O2to formo-benzoquinone + OH and cyclopentadienone is assigned as a secondary product.},
doi = {10.1039/C5CP02953H},
journal = {Physical Chemistry Chemical Physics. PCCP},
number = 6,
volume = 18,
place = {United States},
year = {Mon Oct 19 00:00:00 EDT 2015},
month = {Mon Oct 19 00:00:00 EDT 2015}
}
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Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
https://doi.org/10.1039/C5CP02953H
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Cited by: 24 works
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Figures / Tables:

Figure 1 Figure 1: Product photoionisation mass spectra at 373 K and 10 eV integrated 0–20 ms after 248 nm photolysis of (a) obromophenol and (b) o-bromophenol in the presence of additional O2 (7.7 × 1015 molecule cm-3). In product spectrum (b) m/z 108 and 80 are reaction product peaks but, asmore » discussed in the text, a portion of the m/z 80 signal may arise from dissociative ionisation of o-BQ (assigned to m/z 108).« less
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    Works referencing / citing this record:

    Product detection study of the gas-phase oxidation of methylphenyl radicals using synchrotron photoionisation mass spectrometry
    journal, January 2019

    • Prendergast, Matthew B.; Kirk, Benjamin B.; Savee, John D.
    • Physical Chemistry Chemical Physics, Vol. 21, Issue 32
    • DOI: 10.1039/c9cp01935a

    Theoretical study of sensitive reactions in phenol decomposition
    journal, January 2020

    • Pratali Maffei, Luna; Pelucchi, Matteo; Faravelli, Tiziano
    • Reaction Chemistry & Engineering, Vol. 5, Issue 3
    • DOI: 10.1039/c9re00418a
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