Journal Article10.1021/JP952147W
Propargyl from the reaction of singlet methylene with acetylene
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TL;DR: In this paper, the authors used infrared kinetic spectroscopy to study the production of propargyl radical from the reaction of singlet methylene with acetylene, and the rate constant for this product channel was determined to be (3.5 ± 0.7) × 10-10 cm3 molecule-1 s-1 at 295 K.
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Abstract: The technique of infrared kinetic spectroscopy has been used to study the production of propargyl radical from the reaction of singlet methylene with acetylene. The rate constant for this product channel was determined to be (3.5 ± 0.7) × 10-10 cm3 molecule-1 s-1 at 295 K, measured relative to the known rate for 1CH2 with H2 or CH4. Methylene was produced in the singlet state by excimer laser photolysis of ketene at 308 nm in the presence of acetylene and either H2 or CH4. Reaction of 1CH2 with acetylene produces propargyl, and reaction of 1CH2 with either H2 or CH4 produces CH3. The intensity of a propargyl infrared absorption line was compared with that of a methyl infrared absorption line, and the rate of formation of propargyl was determined from the ratio of these two intensities and the known rate of reaction of singlet methylene with H2 (or CH4) to produce CH3. The relative peak infrared absorption cross sections of methyl and propargyl were calibrated under the conditions of the experiment by phot...
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References
Evaluated Kinetic Data for Combustion Modelling
Donald L. Baulch,Carlos J. Cobos,Richard A. Cox,C. Esser,P. Frank,Th. Just,J. A. Kerr,Michael J. Pilling,Jürgen Troe,Raymond W. Walker,J. Warnatz +10 more
TL;DR: In this paper, the authors present a compilation of critically evaluated kinetic data on elementary homogeneous gas phase chemical reactions for use in modelling combustion processes Data sheets are presented for some 196 reactions each data sheet sets out relevant thermodynamic data, rate coefficient measurements, an assessment of the reliability of the data, references and recommended rate parameters Tables summarizing the preferred rate data are also given
2.1K
Kinetic and thermodynamic issues in the formation of aromatic compounds in flames of aliphatic fuels
James A. Miller,Carl F. Melius +1 more
TL;DR: In this article, a chemical kinetic model was proposed to predict the growth of higher hydrocarbons in a lightly sooting C2H2/O2/Ar flame, and the predictions of the model compare favorably with the experimental results of Bastin et al. (20th Combustion Symposium).
896
Forming benzene in flames by chemically activated isomerization
TL;DR: In this article, the authors showed that benzene is not formed in flames by high-pressure-limit addition reactions, as had been implied previously, but by chemically activated addition and isomerization reactions.
376
Collisional removal of CH2(1A1): Absolute rate constants for atomic and molecular collisional partners at 295 K
TL;DR: In this paper, the authors used the technique of cw laser resonance absorption to monitor the time evolution of individual CH2(1A1) rotational levels following the excimer laser photolysis of CH2CO.
Rate Constant Measurement of the Recombination Reaction C3H3 + C3H3
TL;DR: Using infrared kinetic absorption spectroscopy, the second-order rate constant for the recombination reaction of the propargyl radical (C[sub 3]H[sub3] + C[sub 2]H•sub 3 ] was measured and found to have the value (1.2 [+-] 0.2) x 10[sup [minus]10] cm[sup 3] molecule[sup 2] molecule][sup 1] s[sup 0minus] 1] at 295 K.
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