DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Absolute photoionization cross sections of two cyclic ketones: cyclopentanone and cyclohexanone

Authors:
 [1];  [1]; ORCiD logo [1]
  1. Department of Chemistry, University of San Francisco, CA 94117 USA
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1378376
Grant/Contract Number:  
AC02-05CH11231
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Journal of Mass Spectrometry
Additional Journal Information:
Journal Name: Journal of Mass Spectrometry Journal Volume: 52 Journal Issue: 5; Journal ID: ISSN 1076-5174
Publisher:
Wiley
Country of Publication:
United Kingdom
Language:
English

Citation Formats

Price, Chelsea, Fathi, Yasmin, and Meloni, Giovanni. Absolute photoionization cross sections of two cyclic ketones: cyclopentanone and cyclohexanone. United Kingdom: N. p., 2017. Web. doi:10.1002/jms.3923.
Price, Chelsea, Fathi, Yasmin, & Meloni, Giovanni. Absolute photoionization cross sections of two cyclic ketones: cyclopentanone and cyclohexanone. United Kingdom. https://doi.org/10.1002/jms.3923
Price, Chelsea, Fathi, Yasmin, and Meloni, Giovanni. Thu . "Absolute photoionization cross sections of two cyclic ketones: cyclopentanone and cyclohexanone". United Kingdom. https://doi.org/10.1002/jms.3923.
@article{osti_1378376,
title = {Absolute photoionization cross sections of two cyclic ketones: cyclopentanone and cyclohexanone},
author = {Price, Chelsea and Fathi, Yasmin and Meloni, Giovanni},
abstractNote = {},
doi = {10.1002/jms.3923},
journal = {Journal of Mass Spectrometry},
number = 5,
volume = 52,
place = {United Kingdom},
year = {Thu Feb 23 00:00:00 EST 2017},
month = {Thu Feb 23 00:00:00 EST 2017}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
https://doi.org/10.1002/jms.3923

Citation Metrics:
Cited by: 7 works
Citation information provided by
Web of Science

Save / Share:

Works referenced in this record:

Liquid-Phase Catalytic Processing of Biomass-Derived Oxygenated Hydrocarbons to Fuels and Chemicals
journal, September 2007

  • Chheda, Juben N.; Huber, George W.; Dumesic, James A.
  • Angewandte Chemie International Edition, Vol. 46, Issue 38, p. 7164-7183
  • DOI: 10.1002/anie.200604274

The photoelectron spectra of cyclic ketones
journal, January 1971


A complete basis set model chemistry. V. Extensions to six or more heavy atoms
journal, February 1996

  • Ochterski, Joseph W.; Petersson, G. A.; Montgomery, J. A.
  • The Journal of Chemical Physics, Vol. 104, Issue 7
  • DOI: 10.1063/1.470985

Cyclic Oxygenates: A New Class of Second-Generation Biofuels for Diesel Engines?
journal, April 2009

  • Boot, Michael; Frijters, Peter; Luijten, Carlo
  • Energy & Fuels, Vol. 23, Issue 4
  • DOI: 10.1021/ef8003637

Soot Emissions of Various Oxygenated Biofuels in Conventional Diesel Combustion and Low-Temperature Combustion Conditions
journal, February 2012

  • Liu, Haifeng; Bi, Xiaojie; Huo, Ming
  • Energy & Fuels, Vol. 26, Issue 3
  • DOI: 10.1021/ef201720d

Recent Developments in High-Energy Density Liquid Hydrocarbon Fuels
journal, May 1999

  • Chung, H. S.; Chen, C. S. H.; Kremer, R. A.
  • Energy & Fuels, Vol. 13, Issue 3
  • DOI: 10.1021/ef980195k

Photoelectron spectra of cyclopentanone and cyclopentenones
journal, August 1971

  • Weiler, Larry; Chadwick, David; Frost, D. C.
  • Journal of the American Chemical Society, Vol. 93, Issue 17
  • DOI: 10.1021/ja00746a054

Solvent-Free Conversion of Linalool to Methylcyclopentadiene Dimers: A Route To Renewable High-Density Fuels
journal, February 2011

  • Meylemans, Heather A.; Quintana, Roxanne L.; Goldsmith, Bryan R.
  • ChemSusChem, Vol. 4, Issue 4
  • DOI: 10.1002/cssc.201100017

A complete basis set model chemistry. VII. Use of the minimum population localization method
journal, April 2000

  • Montgomery, J. A.; Frisch, M. J.; Ochterski, J. W.
  • The Journal of Chemical Physics, Vol. 112, Issue 15
  • DOI: 10.1063/1.481224

Validation of Koopmans' theorem for density functional theory binding energies
journal, January 2015

  • Pueyo Bellafont, Noèlia; Illas, Francesc; Bagus, Paul S.
  • Physical Chemistry Chemical Physics, Vol. 17, Issue 6
  • DOI: 10.1039/C4CP05434B

Reducing the Emission of Particles from a Diesel Engine by Adding an Oxygenate to the Fuel
journal, August 2005

  • Nord, Kent E.; Haupt, Dan
  • Environmental Science & Technology, Vol. 39, Issue 16
  • DOI: 10.1021/es048085h

Efficient synthesis of high-density aviation biofuel via solvent-free aldol condensation of cyclic ketones and furanic aldehydes
journal, July 2016


Highly selective self-condensation of cyclic ketones using MOF-encapsulating phosphotungstic acid for renewable high-density fuel
journal, January 2015

  • Deng, Qiang; Nie, Genkuo; Pan, Lun
  • Green Chemistry, Vol. 17, Issue 8
  • DOI: 10.1039/C5GC01287B

Semi-classical approximation to density of vibrational energy levels
journal, April 1963


A complete basis set model chemistry. VI. Use of density functional geometries and frequencies
journal, February 1999

  • Montgomery, J. A.; Frisch, M. J.; Ochterski, J. W.
  • The Journal of Chemical Physics, Vol. 110, Issue 6
  • DOI: 10.1063/1.477924

Soot and chemiluminescence in diesel combustion of bio-derived, oxygenated and reference fuels
journal, January 2009

  • Klein-Douwel, R. J. H.; Donkerbroek, A. J.; van Vliet, A. P.
  • Proceedings of the Combustion Institute, Vol. 32, Issue 2
  • DOI: 10.1016/j.proci.2008.06.140

Computational Kinetic Study for the Unimolecular Decomposition Pathways of Cyclohexanone
journal, November 2014

  • Zaras, Aristotelis M.; Dagaut, Philippe; Serinyel, Zeynep
  • The Journal of Physical Chemistry A, Vol. 119, Issue 28
  • DOI: 10.1021/jp506227w

Highly controllable and selective hydroxyalkylation/alkylation of 2-methylfuran with cyclohexanone for synthesis of high-density biofuel
journal, December 2015


Absolute photoionization cross-section of the propargyl radical
journal, April 2012

  • Savee, John D.; Soorkia, Satchin; Welz, Oliver
  • The Journal of Chemical Physics, Vol. 136, Issue 13
  • DOI: 10.1063/1.3698282

Selective transformation of furfural to cyclopentanone
journal, July 2012


Photoionization cross sections for reaction intermediates in hydrocarbon combustion
journal, December 2005

  • Cool, Terrill A.; Wang, Juan; Nakajima, Koichi
  • International Journal of Mass Spectrometry, Vol. 247, Issue 1-3
  • DOI: 10.1016/j.ijms.2005.08.018

Low temperature (550–700 K) oxidation pathways of cyclic ketones: dominance of HO 2 -elimination channels yielding conjugated cyclic coproducts
journal, January 2015

  • Scheer, Adam M.; Welz, Oliver; Vasu, Subith S.
  • Physical Chemistry Chemical Physics, Vol. 17, Issue 18
  • DOI: 10.1039/C4CP06097K

Flash thermolysis. IV. Thermal fragmentation of cyclohexanone
journal, October 1970

  • De Mayo, Paul.; Verdun, D. L.
  • Journal of the American Chemical Society, Vol. 92, Issue 20
  • DOI: 10.1021/ja00723a055

Determination of absolute photoionization cross-sections of oxygenated hydrocarbons
journal, June 2010

  • Xie, Mingfeng; Zhou, Zhongyue; Wang, Zhandong
  • International Journal of Mass Spectrometry, Vol. 293, Issue 1-3
  • DOI: 10.1016/j.ijms.2010.03.007

The multiplexed chemical kinetic photoionization mass spectrometer: A new approach to isomer-resolved chemical kinetics
journal, October 2008

  • Osborn, David L.; Zou, Peng; Johnsen, Howard
  • Review of Scientific Instruments, Vol. 79, Issue 10
  • DOI: 10.1063/1.3000004

Absolute photoionization cross sections of furanic fuels: 2-ethylfuran, 2-acetylfuran and furfural: Abs. photoioniz. cross sections of furanic fuels
journal, September 2015

  • Smith, Audrey R.; Meloni, Giovanni
  • Journal of Mass Spectrometry, Vol. 50, Issue 11
  • DOI: 10.1002/jms.3638

Absolute photon-flux measurements in the vacuum ultraviolet
journal, January 1974

  • Samson, James A. R.; Haddad, G. N.
  • Journal of the Optical Society of America, Vol. 64, Issue 1
  • DOI: 10.1364/JOSA.64.000047

The Photochemical Decomposition of Cyclic Ketones
journal, January 1942

  • Benson, S. W.; Kistiakowsky, G. B.
  • Journal of the American Chemical Society, Vol. 64, Issue 1
  • DOI: 10.1021/ja01253a021

Cyclopentanone: A raw material for production of C15 and C17 fuel precursors
journal, April 2014


Effect of Several Oxygenates on Regulated Emissions from Heavy-Duty Diesel Engines
journal, April 1997

  • McCormick, Robert L.; Ross, Jeffrey D.; Graboski, Michael S.
  • Environmental Science & Technology, Vol. 31, Issue 4
  • DOI: 10.1021/es9606438

Heat of formation of hydroxymethyl and methanol D0(H-CH2OH)
journal, November 1993

  • Ruscic, B.; Berkowitz, J.
  • The Journal of Physical Chemistry, Vol. 97, Issue 44
  • DOI: 10.1021/j100146a018

Absolute photoionization cross-sections of selected furanic and lactonic potential biofuels
journal, August 2013

  • Czekner, Joseph; Taatjes, Craig A.; Osborn, David L.
  • International Journal of Mass Spectrometry, Vol. 348
  • DOI: 10.1016/j.ijms.2013.04.020

Absolute cross-sections for dissociative photoionization of some small esters
journal, May 2010

  • Wang, Juan; Yang, Bin; Cool, Terrill A.
  • International Journal of Mass Spectrometry, Vol. 292, Issue 1-3
  • DOI: 10.1016/j.ijms.2010.02.010

Molecular orbital calculations to describe microbial reductive dechlorination of polychlorinated dioxins
journal, June 1998

  • Lynam, Mary M.; Kuty, Michal; Damborsky, Jiri
  • Environmental Toxicology and Chemistry, Vol. 17, Issue 6
  • DOI: 10.1002/etc.5620170603

MaSK: A visualization tool for teaching and research in computational chemistry
journal, January 2009

  • Podolyan, Yevgeniy; Leszczynski, Jerzy
  • International Journal of Quantum Chemistry, Vol. 109, Issue 1
  • DOI: 10.1002/qua.21662

Photoionization mass spectrometer for studies of flame chemistry with a synchrotron light source
journal, September 2005

  • Cool, Terrill A.; McIlroy, Andrew; Qi, Fei
  • Review of Scientific Instruments, Vol. 76, Issue 9
  • DOI: 10.1063/1.2010307

Absolute photoionization cross-sections of some combustion intermediates
journal, January 2012


Absolute electron impact ionization cross-sections and polarisability volumes for C2 to C4 aldehydes, C4 and C6 symmetric ethers and C3 to C6 ketones
journal, June 2008

  • Bull, James N.; Harland, Peter W.
  • International Journal of Mass Spectrometry, Vol. 273, Issue 1-2
  • DOI: 10.1016/j.ijms.2008.03.003

On the absolute photoionization cross section and dissociative photoionization of cyclopropenylidene
journal, January 2016

  • Holzmeier, Fabian; Fischer, Ingo; Kiendl, Benjamin
  • Physical Chemistry Chemical Physics, Vol. 18, Issue 13
  • DOI: 10.1039/C6CP01068G

Production of jet and diesel biofuels from renewable lignocellulosic biomass
journal, July 2015


Total absorption and photoionization cross sections of water vapor between 100 and 1000 Å
journal, June 1986

  • Haddad, G. N.; Samson, James A. R.
  • The Journal of Chemical Physics, Vol. 84, Issue 12
  • DOI: 10.1063/1.450715

Liquid biofuels from food waste: Current trends, prospect and limitation
journal, January 2016


Isotope Effects in the Photoionization Yields and the Absorption Cross Sections for Acetylene, Propyne, and Propene
journal, September 1970

  • Person, James C.; Nicole, Paul P.
  • The Journal of Chemical Physics, Vol. 53, Issue 5
  • DOI: 10.1063/1.1674254

The Photochemical Decomposition of Cyclohexanone, Cyclopentanone and Cyclobutanone 1
journal, August 1957

  • Blacet, F. E.; Miller, Arnold
  • Journal of the American Chemical Society, Vol. 79, Issue 16
  • DOI: 10.1021/ja01573a022

The Mass Spectra of Cyclic Ketones
journal, August 1960


98. Primary photochemical reactions. Part VI. The photochemical decomposition of certain cyclic ketones
journal, January 1935

  • Saltmarsh, Olive D.; Norrish, Ronald G. W.
  • Journal of the Chemical Society (Resumed)
  • DOI: 10.1039/jr9350000455

What Do the Kohn−Sham Orbitals and Eigenvalues Mean?
journal, April 1999

  • Stowasser, Ralf; Hoffmann, Roald
  • Journal of the American Chemical Society, Vol. 121, Issue 14
  • DOI: 10.1021/ja9826892

Low-temperature combustion chemistry of biofuels: pathways in the initial low-temperature (550 K–750 K) oxidation chemistry of isopentanol
journal, January 2012

  • Welz, Oliver; Zádor, Judit; Savee, John D.
  • Physical Chemistry Chemical Physics, Vol. 14, Issue 9
  • DOI: 10.1039/c2cp23248k

Study of tert -Amyl Methyl Ether Low Temperature Oxidation Using Synchrotron Photoionization Mass Spectrometry
journal, August 2015

  • Ng, Martin Y.; Bryan, Brittany M.; Nelson, Jordan
  • The Journal of Physical Chemistry A, Vol. 119, Issue 32
  • DOI: 10.1021/acs.jpca.5b05223