Journal article

Direct Observation of para-Xylylene as the Decomposition Product of the meta-Xylyl Radical Using VUV Synchrotron Radiation

Patrick Hemberger, Adam J Trevitt, Edward Ross, Gabriel da Silva

JOURNAL OF PHYSICAL CHEMISTRY LETTERS | AMER CHEMICAL SOC | Published : 2013

Abstract

Xylyl (methylbenzyl) radicals are important combustion intermediates, formed in the pyrolysis and oxidation of xylenes and other substituted aromatic fuel additives. We have used VUV synchrotron radiation and imaging photoelectron photoion coincidence (iPEPICO) spectroscopy techniques to identify para-xylylene as the dominant stable C8H8 product arising from thermal decomposition of the meta-xylyl radical. A complex rearrangement from a meta- to a para-substituted aromatic, supported by quantum chemical calculations, can rationalize the observed reaction products. This work provides the first experimental evidence for the pyrolysis products of the meta-xylyl radical and can explain why the d..

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University of Melbourne Researchers

Grants

Awarded by Swiss Federal Office for Energy (BFE)


Awarded by Australian Research Council


Funding Acknowledgements

Experiments were carried out at the VUV beamline of the Swiss Light Source, Paul Scherrer Institute (PSI). The work was financially supported by the Swiss Federal Office for Energy (BFE Contract Number 101969/152433). We would like to thank Dr. Vadim Mozhayskiy for compiling the OSX version of ezSpectrum. A.J.T. and G.d.S. acknowledge funding support from the Australian Research Council (DP130100862).