2015
DOI: 10.1039/c5cp05354d
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Formation of polycyclic aromatic hydrocarbons from bimolecular reactions of phenyl radicals at high temperatures

Abstract: The self-reaction of the phenyl radical is one of the key reactions in combustion chemistry. Here we study this reaction in a high-temperature flow reactor by IR/UV ion dip spectroscopy, using free electron laser radiation as mid-infrared source. We identified several major reaction products based on their infrared spectra, among them indene, 1,2-dihydronaphthalene, naphthalene, biphenyl and para-terphenyl. Due to the structural sensitivity of the method, the reaction products were identified isomer-selectivel… Show more

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Cited by 33 publications
(50 citation statements)
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“…While the HACA sequence provided the framework for kinetic models describing PAH growth, it may not be generally valid for all conditions under which soot formation occurs. [15][16][17][18][19][20][21][22][23] While the investigation of the formation of the "first aromatic" ring has benefited greatly from kinetic calculations and modeling in combination with isomer-specific and spatially resolved measurements in flames, 4,[24][25] such an approach is currently not suitable for exploring PAH chemistry given the large number of different conceivable isomeric structures. 24 Nevertheless, many different isomeric PAH structures have been identified experimentally in flame and pyrolysis experiments using a variety of different diagnostic techniques.…”
Section: Introductionmentioning
confidence: 99%
“…While the HACA sequence provided the framework for kinetic models describing PAH growth, it may not be generally valid for all conditions under which soot formation occurs. [15][16][17][18][19][20][21][22][23] While the investigation of the formation of the "first aromatic" ring has benefited greatly from kinetic calculations and modeling in combination with isomer-specific and spatially resolved measurements in flames, 4,[24][25] such an approach is currently not suitable for exploring PAH chemistry given the large number of different conceivable isomeric structures. 24 Nevertheless, many different isomeric PAH structures have been identified experimentally in flame and pyrolysis experiments using a variety of different diagnostic techniques.…”
Section: Introductionmentioning
confidence: 99%
“…This methodology has previously been successfully employed to study av ariety of different system, for example, biomolecules, [33] hydrated aromatic molecules, [34] and radicals. [16,17] Af requency-doubled Nd:YAG pumped dye laser ionized molecules in the jet via [1+ +1] REMPI. The UV wavelength was fixed at 265 nm by using frequency-doubled Coumarin 153 with 0.65 mJ of power and ar epetition rate of 20 Hz.…”
Section: Methodsmentioning
confidence: 99%
“…In contrast, we do not observe these intermediate molecules.N ote that an IR spectrum of the most stable C 9 H 8 isomer indeneh as been recorded in previousexperiments on phenylc ondensation. [16] Thus, it is in principle identifiable, when present.T herefore, we conclude that 7 is formed by H 2 loss from 6 rathert han in aH ACA process via indene, as shown in Figure 4.…”
Section: The Peaks At M/z = 168 and 166mentioning
confidence: 99%
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