期刊
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
卷 6, 期 20, 页码 4153-4158出版社
AMER CHEMICAL SOC
DOI: 10.1021/acs.jpclett.5b01896
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资金
- U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences
- NNSA [DE-AC04-94-AL85000]
Soot formation in combustion is a complex process in which polycyclic aromatic hydrocarbons (PAHs) are believed to play a critical role. Recent works concluded that three consecutive additions of acetylene (C2H2) to propargyl (C3H3) create a facile route to the PAR indene (C9H8). However, the isomeric forms of C5H5 and C7H7 intermediates in this reaction sequence are not known. We directly investigate these intermediates using time- and isomer-resolved experiments. Both the resonance stabilized vinylpropargyl (vp-C5H5) and 2,4-cyclopentadienyl (c-C5H5) radical isomers of C5H5 are produced, with substantially different intensities at 800 K vs 1000 K. In agreement with literature master equation calculations, we find that c-C5H5 + C2H2 produces only the tropyl isomer of C7H7 (tp-C7H7) below 1000 K, and that tp-C7H7 + C2H2 terminates the reaction sequence yielding C9H8 (indene) + H. This work demonstrates a pathway for PAH formation that does not proceed through benzene.
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