2932-78-7Relevant articles and documents
INFRARED SPECTROSCOPIC INVESTIGATION OF PROPARGYL RADICALS STABILIZED IN LOW-TEMPERATURE ARGON MATRIX
Korolev, V. A.,Mal'tsev, A. K.,Nefedov, O. M.
, p. 957 - 964 (1989)
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Propargyl from the Reaction of Singlet Methylene with Acetylene
Adamson, J. D.,Morter, C. L.,DeSain, J. D.,Glass, G. P.,Curl, R. F.
, p. 2125 - 2128 (1996)
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)E-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 photolyzing crotyl bromide at 193 nm to produce methyl and propargyl in equal concentrations.
Formation of fulvene in the reaction of C2H with 1,3-butadiene
Lockyear, Jessica F.,Fournier, Martin,Sims, Ian R.,Guillemin, Jean-Claude,Taatjes, Craig A.,Osborn, David L.,Leone, Stephen R.
, p. 232 - 245 (2015/04/14)
Abstract Products formed in the reaction of C2H radicals with 1,3-butadiene at 4 Torr and 298 K are probed using photoionization time-of-flight mass spectrometry. The reaction takes place in a slow-flow reactor, and products are ionized by tunable vacuum-ultraviolet light from the Advanced Light Source. The principal reaction channel involves addition of the radical to one of the unsaturated sites of 1,3-butadiene, followed by H-loss to give isomers of C6H6. The photoionization spectrum of the C6H6 product indicates that fulvene is formed with a branching fraction of (57 ± 30)%. At least one more isomer is formed, which is likely to be one or more of 3,4-dimethylenecyclobut-1-ene, 3-methylene-1-penten-4-yne or 3-methyl-1,2-pentadien-4-yne. An experimental photoionization spectrum of 3,4-dimethylenecyclobut-1-ene and simulated photoionization spectra of 3-methylene-1-penten-4-yne and 3-methyl-1,2-pentadien-4-yne are used to fit the measured data and obtain maximum branching fractions of 74%, 24% and 31%, respectively, for these isomers. An upper limit of 45% is placed on the branching fraction for the sum of benzene and 1,3-hexadien-5-yne. The reactive potential energy surface is also investigated computationally. Minima and first-order saddle-points on several possible reaction pathways to fulvene + H and 3,4-dimethylenecyclobut-1-ene + H products are calculated.
Photofragment translational spectroscopy of 1,2-butadiene at 193 nm
Robinson, Jason C.,Sun, Weizhong,Harris, Sean A.,Qi, Fei,Neumark, Daniel M.
, p. 8359 - 8365 (2007/10/03)
The dissociation dynamics of 1,2-butadiene at 193 nm were analyzed by photofragment translational spectroscopy. Tunable vacuum ultraviolet (VUV) synchrotron radiation at the Advanced Light Source (ALS) was used for ionization of scattered photoproducts. I
