Detection of Aliphatically Bridged Multi-Core Polycyclic Aromatic Hydrocarbons in Sooting Flames with Atmospheric-Sampling High-Resolution Tandem Mass Spectrometry

Adamson, B. D.; Skeen, S. A.; Ahmed, M.; Hansen, N.

doi:10.1021/acs.jpca.8b08947

Title: Detection of Aliphatically Bridged Multi-Core Polycyclic Aromatic Hydrocarbons in Sooting Flames with Atmospheric-Sampling High-Resolution Tandem Mass Spectrometry

Journal Article · Mon Nov 12 00:00:00 EST 2018 · Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory

DOI:https://doi.org/10.1021/acs.jpca.8b08947· OSTI ID:1608263

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Sandia National Lab. (SNL-CA), Livermore, CA (United States). Combustion Research Facility
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Chemical Sciences Division

This article provides experimental evidence for the chemical structures of aliphatically substituted and bridged polycyclic aromatic hydrocarbon (PAH) species in gas-physe combustion environments. The identification of these single- and multicore aromatic species, which have been hypothesized to be important in PAH growth and soot nucleation, was made possible through a combination of sampling gaseous constituents from an atmospheric pressure inverse coflow diffusion flame of ethylene and high-resolution tandem mass spectrometry (MS-MS). In these experiments, the flame-sampled components were ionized using a continuous VUV lamp at 10.0 eV and the ions were subsequently fragmented through collisions with Ar atoms in a collision-induced dissociation (CID) process. The resulting fragment ions, which were separated using a reflectron time-of-flight mass spectrometer, were used to extract structural information about the sampled aromatic compounds. The high-resolution mass spectra revealed the presence of alkylated single-core aromatic compounds and the fragment ions that were observed correspond to the loss of saturated and unsaturated units containing up to a total of 6 carbon atoms. Furthermore, the aromatic structures that form the foundational building blocks of the larger PAHs were identified to be smaller single-ring and pericondensed aromatic species with repetitive structural features. For demonstrative purposes, details are provided for the CID of molecular ions at masses 202 and 434. Insights into the role of the aliphatically substituted and bridged aromatics in the reaction network of PAH growth chemistry were obtained from spatially resolved measurements of the flame. The experimental results are consistent with a growth mechanism in which alkylated aromatics are oxidized to form pericondensed ring structures or react and recombine with other aromatics to form larger, potentially three-dimensional, aliphatically bridged multicore aromatic hydrocarbons.

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Research Organization:: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States); Sandia National Lab. (SNL-CA), Livermore, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE National Nuclear Security Administration (NNSA); USDOE Laboratory Directed Research and Development (LDRD) Program

Grant/Contract Number:: AC02-05CH11231; NA0003525; AC04-94AL85000

OSTI ID:: 1608263

Alternate ID(s):: OSTI ID: 1639067

Report Number(s):: SAND-2020-6300J; ark:/13030/qt5kv0941k

Journal Information:: Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory, Vol. 122, Issue 48; ISSN 1089-5639

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

Citation Metrics:

Cited by: 43 works

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References (72)

Reaction mechanism of soot formation in flames Frenklach, Michael Physical Chemistry Chemical Physics, Vol. 4, Issue 11 https://doi.org/10.1039/b110045a	journal	February 2002
Formation of nascent soot and other condensed-phase materials in flames Wang, Hai Proceedings of the Combustion Institute, Vol. 33, Issue 1 https://doi.org/10.1016/j.proci.2010.09.009	journal	January 2011
Studies of aromatic hydrocarbon formation mechanisms in flames: Progress towards closing the fuel gap McEnally, Charles S.; Pfefferle, Lisa D.; Atakan, Burak Progress in Energy and Combustion Science, Vol. 32, Issue 3 https://doi.org/10.1016/j.pecs.2005.11.003	journal	January 2006
Unravelling combustion mechanisms through a quantitative understanding of elementary reactions Miller, James A.; Pilling, Michael J.; Troe, Jürgen Proceedings of the Combustion Institute, Vol. 30, Issue 1 https://doi.org/10.1016/j.proci.2004.08.281	journal	January 2005
Formation of polycyclic aromatic hydrocarbons and their growth to soot—a review of chemical reaction pathways Richter, H.; Howard, J. B. Progress in Energy and Combustion Science, Vol. 26, Issue 4-6 https://doi.org/10.1016/S0360-1285(00)00009-5	journal	August 2000
Exploring formation pathways of aromatic compounds in laboratory-based model flames of aliphatic fuels Hansen, N.; Miller, J. A.; Klippenstein, S. J. Combustion, Explosion, and Shock Waves, Vol. 48, Issue 5 https://doi.org/10.1134/S0010508212050024	journal	September 2012
Fuel-structure dependence of benzene formation processes in premixed flames fueled by C6H12 isomers Hansen, N.; Kasper, T.; Yang, B. Proceedings of the Combustion Institute, Vol. 33, Issue 1 https://doi.org/10.1016/j.proci.2010.05.056	journal	January 2011
Initial Steps of Aromatic Ring Formation in a Laminar Premixed Fuel-Rich Cyclopentene Flame† Hansen, N.; Kasper, T.; Klippenstein, S. J. The Journal of Physical Chemistry A, Vol. 111, Issue 19 https://doi.org/10.1021/jp0683317	journal	May 2007
Reaction mechanisms in aromatic hydrocarbon formation involving the C5H5 cyclopentadienyl moiety Melius, Carl F.; Colvin, Michael E.; Marinov, Nick M. Symposium (International) on Combustion, Vol. 26, Issue 1 https://doi.org/10.1016/S0082-0784(96)80276-1	journal	January 1996
Consumption and hydrocarbon growth processes in a 2-methyl-2-butene flame Ruwe, Lena; Moshammer, Kai; Hansen, Nils Combustion and Flame, Vol. 175 https://doi.org/10.1016/j.combustflame.2016.06.032	journal	January 2017
Kinetic modeling of soot formation with detailed chemistry and physics: laminar premixed flames of C2 hydrocarbons Appel, Jörg; Bockhorn, Henning; Frenklach, Michael Combustion and Flame, Vol. 121, Issue 1-2 https://doi.org/10.1016/S0010-2180(99)00135-2	journal	April 2000
Detailed modeling of soot particle nucleation and growth Frenklach, Michael; Wang, Hai Symposium (International) on Combustion, Vol. 23, Issue 1 https://doi.org/10.1016/S0082-0784(06)80426-1	journal	January 1991
Unexpected Chemistry from the Reaction of Naphthyl and Acetylene at Combustion-Like Temperatures Parker, Dorian S. N.; Kaiser, Ralf. I.; Bandyopadhyay, Biswajit Angewandte Chemie International Edition, Vol. 54, Issue 18 https://doi.org/10.1002/anie.201411987	journal	March 2015
Formation of polycyclic aromatic hydrocarbons from bimolecular reactions of phenyl radicals at high temperatures Constantinidis, P.; Schmitt, H. -C.; Fischer, I. Physical Chemistry Chemical Physics, Vol. 17, Issue 43 https://doi.org/10.1039/C5CP05354D	journal	January 2015
PAH Growth Initiated by Propargyl Addition: Mechanism Development and Computational Kinetics Raj, Abhijeet; Al Rashidi, Mariam J.; Chung, Suk Ho The Journal of Physical Chemistry A, Vol. 118, Issue 16 https://doi.org/10.1021/jp410704b	journal	April 2014
New polycyclic aromatic hydrocarbon (PAH) surface processes to improve the model prediction of the composition of combustion-generated PAHs and soot Raj, Abhijeet; Man, Peter L. W.; Totton, Tim S. Carbon, Vol. 48, Issue 2 https://doi.org/10.1016/j.carbon.2009.09.030	journal	February 2010
The C ₇ H ₅ Fulvenallenyl Radical as a Combustion Intermediate: Potential New Pathways to Two- and Three-Ring PAHs da Silva, Gabriel; Bozzelli, Joseph W. The Journal of Physical Chemistry A, Vol. 113, Issue 44 https://doi.org/10.1021/jp907230b	journal	November 2009
A highly efficient growth mechanism of polycyclic aromatic hydrocarbons Shukla, Bikau; Koshi, Mitsuo Physical Chemistry Chemical Physics, Vol. 12, Issue 10 https://doi.org/10.1039/b919644g	journal	January 2010
Comparative study on the growth mechanisms of PAHs Shukla, Bikau; Koshi, Mitsuo Combustion and Flame, Vol. 158, Issue 2 https://doi.org/10.1016/j.combustflame.2010.09.012	journal	February 2011
A novel route for PAH growth in HACA based mechanisms Shukla, Bikau; Koshi, Mitsuo Combustion and Flame, Vol. 159, Issue 12 https://doi.org/10.1016/j.combustflame.2012.08.007	journal	December 2012
Role of Phenyl Radicals in the Growth of Polycyclic Aromatic Hydrocarbons Shukla, Bikau; Susa, Akio; Miyoshi, Akira The Journal of Physical Chemistry A, Vol. 112, Issue 11 https://doi.org/10.1021/jp7098398	journal	March 2008
Recent contributions of flame-sampling molecular-beam mass spectrometry to a fundamental understanding of combustion chemistry Hansen, Nils; Cool, Terrill A.; Westmoreland, Phillip R. Progress in Energy and Combustion Science, Vol. 35, Issue 2 https://doi.org/10.1016/j.pecs.2008.10.001	journal	April 2009
Advances and challenges in laminar flame experiments and implications for combustion chemistry Egolfopoulos, F. N.; Hansen, N.; Ju, Y. Progress in Energy and Combustion Science, Vol. 43 https://doi.org/10.1016/j.pecs.2014.04.004	journal	August 2014
Probing soot formation, chemical and physical evolution, and oxidation: A review of in situ diagnostic techniques and needs Michelsen, H. A. Proceedings of the Combustion Institute, Vol. 36, Issue 1 https://doi.org/10.1016/j.proci.2016.08.027	journal	January 2017
Combustion chemistry probed by synchrotron VUV photoionization mass spectrometry Qi, Fei Proceedings of the Combustion Institute, Vol. 34, Issue 1 https://doi.org/10.1016/j.proci.2012.09.002	journal	January 2013
Isomeric identification of polycyclic aromatic hydrocarbons formed in combustion with tunable vacuum ultraviolet photoionization Qi, Fei; Yang, Rui; Yang, Bin Review of Scientific Instruments, Vol. 77, Issue 8 https://doi.org/10.1063/1.2234855	journal	August 2006
Fullerenes and Soot Formation— New Pathways to Large Particles in Flames Homann, Klaus-Heinrich Angewandte Chemie International Edition, Vol. 37, Issue 18 https://doi.org/10.1002/(SICI)1521-3773(19981002)37:18<2434::AID-ANIE2434>3.0.CO;2-L	journal	October 1998
On-Line Analysis of Organic Components in Fine and Ultrafine Particles by Photoionization Aerosol Mass Spectrometry Öktem, Berk; Tolocka, Michael P.; Johnston, Murray V. Analytical Chemistry, Vol. 76, Issue 2 https://doi.org/10.1021/ac0350559	journal	January 2004
Chemical species associated with the early stage of soot growth in a laminar premixed ethylene–oxygen–argon flame Öktem, Berk; Tolocka, Michael P.; Zhao, Bin Combustion and Flame, Vol. 142, Issue 4 https://doi.org/10.1016/j.combustflame.2005.03.016	journal	September 2005
Soot precursor formation and limitations of the stabilomer grid Johansson, K. O.; Lai, J. Y. W.; Skeen, S. A. Proceedings of the Combustion Institute, Vol. 35, Issue 2 https://doi.org/10.1016/j.proci.2014.05.033	journal	January 2015
Formation and emission of large furans and oxygenated hydrocarbons from flames Johansson, K. Olof; Dillstrom, Tyler; Monti, Matteo Proceedings of the National Academy of Sciences, Vol. 113, Issue 30 https://doi.org/10.1073/pnas.1604772113	journal	July 2016
Near-threshold photoionization mass spectra of combustion-generated high-molecular-weight soot precursors Skeen, Scott A.; Michelsen, Hope A.; Wilson, Kevin R. Journal of Aerosol Science, Vol. 58 https://doi.org/10.1016/j.jaerosci.2012.12.008	journal	April 2013
PAH formation and soot morphology in flames of C4 fuels Schenk, M.; Hansen, N.; Vieker, H. Proceedings of the Combustion Institute, Vol. 35, Issue 2 https://doi.org/10.1016/j.proci.2014.06.139	journal	January 2015
Comprehensive compositional analysis of sulfur and nitrogen containing compounds in shale oil using GC×GC – FID/SCD/NCD/TOF-MS Dijkmans, Thomas; Djokic, Marko R.; Van Geem, Kevin M. Fuel, Vol. 140 https://doi.org/10.1016/j.fuel.2014.09.055	journal	January 2015
Automatic Mechanism and Kinetic Model Generation for Gas- and Solution-Phase Processes: A Perspective on Best Practices, Recent Advances, and Future Challenges: AUTOMATIC MECHANISM GENERATION FOR GAS- AND SOLUTION-PHASE PROCESSES Van de Vijver, Ruben; Vandewiele, Nick M.; Bhoorasingh, Pierre L. International Journal of Chemical Kinetics, Vol. 47, Issue 4 https://doi.org/10.1002/kin.20902	journal	January 2015
High-temperature stabilities of hydrocarbons Stein, Stephen E.; Fahr, A. The Journal of Physical Chemistry, Vol. 89, Issue 17 https://doi.org/10.1021/j100263a027	journal	August 1985
Evidence of aliphatics in nascent soot particles in premixed ethylene flames Cain, Jeremy P.; Camacho, Joaquin; Phares, Denis J. Proceedings of the Combustion Institute, Vol. 33, Issue 1 https://doi.org/10.1016/j.proci.2010.06.164	journal	January 2011
Micro-FTIR study of soot chemical composition—evidence of aliphatic hydrocarbons on nascent soot surfaces Cain, Jeremy P.; Gassman, Paul L.; Wang, Hai Physical Chemistry Chemical Physics, Vol. 12, Issue 20 https://doi.org/10.1039/b924344e	journal	January 2010
High-sensitivity detection of polycyclic aromatic hydrocarbons adsorbed onto soot particles using laser desorption/laser ionization/time-of-flight mass spectrometry: An approach to studying the soot inception process in low-pressure flames Faccinetto, Alessandro; Desgroux, Pascale; Ziskind, Michael Combustion and Flame, Vol. 158, Issue 2 https://doi.org/10.1016/j.combustflame.2010.08.012	journal	February 2011
Progress toward the Quantitative Analysis of PAHs Adsorbed on Soot by Laser Desorption/Laser Ionization/Time-of-Flight Mass Spectrometry Faccinetto, Alessandro; Focsa, Cristian; Desgroux, Pascale Environmental Science & Technology, Vol. 49, Issue 17 https://doi.org/10.1021/acs.est.5b02703	journal	August 2015
Exploring the Role of PAHs in the Formation of Soot: Pyrene Dimerization Sabbah, Hassan; Biennier, Ludovic; Klippenstein, Stephen J. The Journal of Physical Chemistry Letters, Vol. 1, Issue 19 https://doi.org/10.1021/jz101033t	journal	September 2010
A quantitative study of the clustering of polycyclic aromatic hydrocarbons at high temperatures Totton, Tim S.; Misquitta, Alston J.; Kraft, Markus Physical Chemistry Chemical Physics, Vol. 14, Issue 12 https://doi.org/10.1039/c2cp23008a	journal	January 2012
Peri-condensed aromatics with aliphatic chains as key intermediates for the nucleation of aromatic hydrocarbons Chung, Seung-Hyun; Violi, Angela Proceedings of the Combustion Institute, Vol. 33, Issue 1 https://doi.org/10.1016/j.proci.2010.06.038	journal	January 2011
Thermodynamics of poly-aromatic hydrocarbon clustering and the effects of substituted aliphatic chains Elvati, Paolo; Violi, Angela Proceedings of the Combustion Institute, Vol. 34, Issue 1 https://doi.org/10.1016/j.proci.2012.07.030	journal	January 2013
Radical–radical reactions, pyrene nucleation, and incipient soot formation in combustion Johansson, K. Olof; Dillstrom, Tyler; Elvati, Paolo Proceedings of the Combustion Institute, Vol. 36, Issue 1 https://doi.org/10.1016/j.proci.2016.07.130	journal	January 2017
Molecular characterization of organic content of soot along the centerline of a coflow diffusion flame Cain, Jeremy; Laskin, Alexander; Kholghy, Mohammad Reza Phys. Chem. Chem. Phys., Vol. 16, Issue 47 https://doi.org/10.1039/C4CP03330B	journal	January 2014
Simulating the morphology of clusters of polycyclic aromatic hydrocarbons: The influence of the intermolecular potential Pascazio, Laura; Sirignano, Mariano; D'Anna, Andrea Combustion and Flame, Vol. 185 https://doi.org/10.1016/j.combustflame.2017.07.003	journal	November 2017
Nucleation of soot: Molecular dynamics simulations of pyrene dimerization Schuetz, Charles A.; Frenklach, Michael Proceedings of the Combustion Institute, Vol. 29, Issue 2 https://doi.org/10.1016/S1540-7489(02)80281-4	journal	January 2002
Towards a predictive model for polycyclic aromatic hydrocarbon dimerization propensity Lowe, Jeffrey S.; Lai, Jason Y. W.; Elvati, Paolo Proceedings of the Combustion Institute, Vol. 35, Issue 2 https://doi.org/10.1016/j.proci.2014.06.142	journal	January 2015
Tandem mass spectrometry (MS/MS): a promising new analytical technique for specific component determination in complex mixtures McLafferty, Fred W. Accounts of Chemical Research, Vol. 13, Issue 2 https://doi.org/10.1021/ar50146a001	journal	February 1980
Tandem mass spectrometry McLafferty, F. Science, Vol. 214, Issue 4518 https://doi.org/10.1126/science.7280693	journal	October 1981
Large molecules, radicals, ions, and small soot particles in fuel-rich hydrocarbon flames: Part III: REMPI mass spectrometry of large flame PAHs and fullerenes and their quantitative calibration through sublimation Ahrens, J.; Keller, A.; Kovacs, R. Berichte der Bunsengesellschaft für physikalische Chemie, Vol. 102, Issue 12 https://doi.org/10.1002/bbpc.19981021213	journal	December 1998
Large molecules, ions, radicals, and small soot particles in fuel-rich hydrocarbon flames part V: Positive ions of polycyclic aromatic hydrocarbons (PAH) in low-pressure premixed flames of benzene and oxygen††Part I, ref. 1; Part II, ref. 14 (1998); Part III, ref. 20; Part IV, ref. 2. Fialkov, A. B.; Dennebaum, J.; Homann, K. -H Combustion and Flame, Vol. 125, Issue 1-2 https://doi.org/10.1016/S0010-2180(00)00225-X	journal	April 2001
Large molecules, radicals ions, and small soot particles in fuel-rich hydrocarbon flames Griesheimer, J.; Homann, K. -H. Symposium (International) on Combustion, Vol. 27, Issue 2 https://doi.org/10.1016/S0082-0784(98)80016-7	journal	January 1998
Large molecules, radicals, ions, and small soot particles in fuel-rich hydrocarbon flames Weilmünster, P.; Keller, A.; Homann, K. -H. Combustion and Flame, Vol. 116, Issue 1-2 https://doi.org/10.1016/S0010-2180(98)00049-2	journal	January 1999
Investigating repetitive reaction pathways for the formation of polycyclic aromatic hydrocarbons in combustion processes Hansen, Nils; Schenk, Marina; Moshammer, Kai Combustion and Flame, Vol. 180 https://doi.org/10.1016/j.combustflame.2016.09.013	journal	June 2017
Collision-Induced Dissociation Ion Mobility Mass Spectrometry for the Elucidation of Unknown Structures in Strained Polycyclic Aromatic Hydrocarbon Macrocycles Zhang, Wen; Quernheim, Martin; Räder, Hans Joachim Analytical Chemistry, Vol. 88, Issue 1 https://doi.org/10.1021/acs.analchem.5b03704	journal	December 2015
High-energy collision-induced dissociation of small polycyclic aromatic hydrocarbons Arakawa, Ryuichi; Kobayashi, Mako; Nishimura, Toshihide Journal of Mass Spectrometry, Vol. 35, Issue 2 https://doi.org/10.1002/(SICI)1096-9888(200002)35:2<178::AID-JMS927>3.0.CO;2-S	journal	February 2000
Collision-induced dissociation of 2- and 3-dimensional polycyclic aromatic hydrocarbon cations in a modified ion-trap detector Wang, Xiaomin; Becker, Hansjürgen; Hopkinson, Alan C. International Journal of Mass Spectrometry and Ion Processes, Vol. 161, Issue 1-3 https://doi.org/10.1016/S0168-1176(96)04430-8	journal	February 1997
Excitation and dissociation of isolated ions derived from polycyclic aromatic hydrocarbons Pachuta, Steven J.; Kenttamaa, Hilkka I.; Sack, Thomas M. Journal of the American Chemical Society, Vol. 110, Issue 3 https://doi.org/10.1021/ja00211a001	journal	February 1988
Role of methyl radicals in the growth of PAHs Shukla, Bikau; Miyoshi, Akira; Koshi, Mitsuo Journal of the American Society for Mass Spectrometry, Vol. 21, Issue 4 https://doi.org/10.1016/j.jasms.2009.12.019	journal	April 2010
A statistical approach to develop a detailed soot growth model using PAH characteristics Raj, Abhijeet; Celnik, Matthew; Shirley, Raphael Combustion and Flame, Vol. 156, Issue 4 https://doi.org/10.1016/j.combustflame.2009.01.005	journal	April 2009
Mass spectrometric analysis of large PAH in a fuel-rich ethylene flame Apicella, B.; Carpentieri, A.; Alfè, M. Proceedings of the Combustion Institute, Vol. 31, Issue 1 https://doi.org/10.1016/j.proci.2006.08.014	journal	January 2007
Polycyclic aromatic hydrocarbons in flames, in diesel fuels, and in diesel emissions Dobbins, Richard A.; Fletcher, Robert A.; Benner, Bruce A. Combustion and Flame, Vol. 144, Issue 4 https://doi.org/10.1016/j.combustflame.2005.09.008	journal	March 2006
Characterization of flame-generated C10 to C160 polycyclic aromatic hydrocarbons by atmospheric-pressure chemical ionization mass spectrometry with liquid introduction via heated nebulizer interface Lafleur, Arthur L.; Taghizadeh, Koli; Howard, Jack B. Journal of the American Society for Mass Spectrometry, Vol. 7, Issue 3 https://doi.org/10.1016/1044-0305(95)00651-6	journal	March 1996
Formation of polycyclic aromatic hydrocarbons and their radicals in a nearly sooting premixed benzene flame Richter, Henning; Benish, Timothy G.; Mazyar, Oleg A. Proceedings of the Combustion Institute, Vol. 28, Issue 2 https://doi.org/10.1016/S0082-0784(00)80679-7	journal	January 2000
Formation of polycyclic aromatic hydrocarbons (PAH) in methane combustion: Comparative new results from premixed flames Senkan, S. Combustion and Flame, Vol. 107, Issue 1-2 https://doi.org/10.1016/0010-2180(96)00044-2	journal	October 1996
Modeling of soot particle inception in aromatic and aliphatic premixed flames Violi, Angela Combustion and Flame, Vol. 139, Issue 4 https://doi.org/10.1016/j.combustflame.2004.08.013	journal	December 2004
Dissociation and multiple ionization energies for five polycyclic aromatic hydrocarbon molecules Holm, A. I. S.; Johansson, H. A. B.; Cederquist, H. The Journal of Chemical Physics, Vol. 134, Issue 4 https://doi.org/10.1063/1.3541252	journal	January 2011
Molecular ionization–dissociation of fluoranthene at 266nm: Energetic and dissociative pathways Poveda, J. C.; Álvarez, I.; Cisneros, C. Journal of Photochemistry and Photobiology A: Chemistry, Vol. 230, Issue 1 https://doi.org/10.1016/j.jphotochem.2011.12.015	journal	February 2012
Photodissociation of Pyrene Cations: Structure and Energetics from C ₁₆ H ₁₀ ⁺ to C ₁₄ ⁺ and Almost Everything in Between West, Brandi; Useli-Bacchitta, Francesca; Sabbah, Hassan The Journal of Physical Chemistry A, Vol. 118, Issue 36 https://doi.org/10.1021/jp506420u	journal	August 2014
Stochastic atomistic simulation of polycyclic aromatic hydrocarbon growth in combustion Lai, Jason Y. W.; Elvati, Paolo; Violi, Angela Phys. Chem. Chem. Phys., Vol. 16, Issue 17 https://doi.org/10.1039/C4CP00112E	journal	January 2014

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