High Temperature Reactions of Phenylacetylene

Herzler, Jürgen; Frank, Peter

doi:10.1002/bbpc.19920961003

Cited by 53 publications

(34 citation statements)

References 9 publications

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“…25 The present method utilizes the reaction at low [H] 0 where the H atoms are produced from the fast thermal decomposition of C 2 H 5 I. 28,29 The pertinent mechanism is given in Table 1 Figure 1 (closed circles) along with the earlier results from the N 2 O decomposition study. 25 It should be noted that reactions 5 and 6 in Table 1 Table 1) at the highest temperature and [C 2 H 5 I] 0 is less than 5%.…”

Section: Methodsmentioning

confidence: 99%

Rate Constants for CH₃ + O₂ → CH₃O + O at High Temperature and Evidence for H₂CO + O₂ → HCO + HO₂

Michael

Kumaran

1999

J. Phys. Chem. A

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The reaction of CH 3 with O 2 has been studied in a reflected shock tube apparatus between 1600 and 2100 K. CH 3 was prepared from the fast thermal decomposition of CH 3 I, and O atom atomic resonance absorption spectrometry (ARAS) was used to observe absolute [O] t . [CH 3 I] 0 was sufficiently low so that most secondary reactions were negligible, allowing for unambiguous determination of the rate constant for CH 3 + O 2 f CH 3 O + O. The rate constant expression for this reaction derived to match the experimental data is k ) (3.90 ( 0.40) × 10 -11 exp(-16858 ( 1127 K/T) cm 3 molecule -1 s -1 . To explain O atom concentration buildup at longer times, a fast reaction between H 2 CO and O 2 was postulated. Rate constants for this process were derived by fitting the long-time O atom profiles. Last, the four-center reaction CH 3 + O 2 f CH 2 O + OH was found to be of negligible importance over the temperature range of the study.

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Section: Methodsmentioning

confidence: 99%

Rate Constants for CH₃ + O₂ → CH₃O + O at High Temperature and Evidence for H₂CO + O₂ → HCO + HO₂

Michael

Kumaran

1999

J. Phys. Chem. A

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“…H-and I-atoms from the ethyl iodide decay was found to be about 1.0 and the above mechanism is suited to describe the H atom formation [4].…”

Section: Introductionmentioning

confidence: 96%

“…Therefore, gas-phase reactions of silicon compounds are of importance for the Chemical Vapor Deposition (CVD) process. Concerning bimolecular SiCl 4 reactions, no experimental study at high temperature has been reported in the literature.…”

Section: Introductionmentioning

confidence: 96%

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A shock tube study of the reaction of H atoms with SiCl4

Catoire¹,

Woiki²,

Roth³

1997

Int. J. Chem. Kinet.

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ABSTRACT:The reaction of H atoms with SiCl 4 was studied behind reflected shock waves at temperatures between 1530 K and 1730 K and pressures around 1.5 bar by applying atomic resonance absorption spectroscopy (ARAS) for time resolved measurements of H atoms at the L ␣ -line. The thermal decomposition of a few ppm ethyl iodide (C 2 H 5 I) was used as a Hatom source. In the presence of a high excess of the molecular reactant SiCl 4 a slow consumption of H was observed, which follows a pseudo-first-order rate law. Rate coefficient for the consumption of H by the reaction: (R1) was determined to be:.

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“…While rate constants for phenyl Send offprint requests to: R. I. Kaiser, e-mail: kaiser@gold.chem.hawaii.edu radicals reacting with olefins and alkynes range between 10 −12 and 10 −14 cm 3 s −1 at temperatures up to 1100 K and entrance barriers were determined to be 25-43 kJ mol −1 , reaction products are purely speculative (Yu & Lin 1995a;Yu & Lin 1995b;Duncan & Trotman-Dickenson 1962;Fahr & Stein 1989;Herzler & Frank 1992). Obviously, the products of the reaction of phenyl with molecular hydrogen as studied by Lin and coworkers should be benzene and atomic hydrogen (Yu & Lin 1995a), but the problem is more complex if unsaturated hydrocarbons are the reactants.…”

Section: Introductionmentioning

confidence: 99%

Elementary reactions of the phenyl radical, C$_\mathsf{6}$H$_\mathsf{5}$, with C$_\mathsf{3}$H$_\mathsf{4}$ isomers, and of benzene, C$_\mathsf{6}$H$_\mathsf{6}$, with atomic carbon in extraterrestrial environments

Kaiser¹,

Vereecken²,

Peeters³

et al. 2003

A&A

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Abstract. Binary collisions of ground state carbon atoms, C( 3 P j ), with benzene, C 6 H 6 (X 1 A 1g ), and of phenyl radicals, C 6 H 5 (X 2 A 1 ), with methylacetylene, CH 3 CCH(X 1 A 1 ), were investigated in crossed beam experiments, ab initio calculations, and via RRKM theory to elucidate the underlying mechanisms of elementary reactions relevant to the formation of polycyclic aromatic hydrocarbons (PAHs) in extraterrestrial environments. The reactions of phenyl radicals with allene, H 2 CCCH 2 , and with cyclopropene, cyc-C 3 H 4 , as well as the reaction of benzyl radicals, C 6 H 5 CH 2 , with acetylene, HCCH, were also investigated theoretically. The C( 3 P j ) atom reacts with benzene via complex formation to a cyclic, seven membered C 7 H 5 doublet radical plus atomic hydrogen. Since this pathway has neither an entrance nor an exit barrier and is exoergic, the benzene molecule can be destroyed by carbon atoms even in the coldest molecular clouds. On the other hand, the reaction of phenyl radicals with methylacetylene has an entrance barrier; at high collision energies, the dynamics are at the boundary between an osculating complex and a direct pathway. Statistical calculations on the phenyl plus methylacetylene reaction demonstrate dramatic energy/temperature dependencies: at lower temperatures, the bicyclic indene isomer is the sole reaction product. But as the temperature increases to 2000 K, formation of indene diminishes in favor of substituted acetylenes and allenes, such as PhCCH, PhCCCH 3 , PhCHCCH 2 , and PhCH 2 CCH. Also, direct H-abstraction channels become accessible, forming benzene and C 3 H 3 radicals, including propargyl. Similar conclusions were reached for the reactions of phenyl radicals with the other C 3 H 4 isomers, as well as for the benzyl + acetylene reaction. The strong temperature dependence emphasizes that distinct product isomers must be included in reaction networks modeling PAH formation in extraterrestrial environments.

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High Temperature Reactions of Phenylacetylene

Cited by 53 publications

References 9 publications

Rate Constants for CH₃ + O₂ → CH₃O + O at High Temperature and Evidence for H₂CO + O₂ → HCO + HO₂

Rate Constants for CH₃ + O₂ → CH₃O + O at High Temperature and Evidence for H₂CO + O₂ → HCO + HO₂

A shock tube study of the reaction of H atoms with SiCl4

Elementary reactions of the phenyl radical, C$_\mathsf{6}$H$_\mathsf{5}$, with C$_\mathsf{3}$H$_\mathsf{4}$ isomers, and of benzene, C$_\mathsf{6}$H$_\mathsf{6}$, with atomic carbon in extraterrestrial environments

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High Temperature Reactions of Phenylacetylene

Cited by 53 publications

References 9 publications

Rate Constants for CH3 + O2 → CH3O + O at High Temperature and Evidence for H2CO + O2 → HCO + HO2

Rate Constants for CH3 + O2 → CH3O + O at High Temperature and Evidence for H2CO + O2 → HCO + HO2

A shock tube study of the reaction of H atoms with SiCl4

Elementary reactions of the phenyl radical, C$_\mathsf{6}$H$_\mathsf{5}$, with C$_\mathsf{3}$H$_\mathsf{4}$ isomers, and of benzene, C$_\mathsf{6}$H$_\mathsf{6}$, with atomic carbon in extraterrestrial environments

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Rate Constants for CH₃ + O₂ → CH₃O + O at High Temperature and Evidence for H₂CO + O₂ → HCO + HO₂

Rate Constants for CH₃ + O₂ → CH₃O + O at High Temperature and Evidence for H₂CO + O₂ → HCO + HO₂