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  • CHEMISTRY AND MATERIALS (GENERAL)  (6)
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  • 1
    Publication Date: 2011-08-16
    Keywords: CHEMISTRY AND MATERIALS (GENERAL)
    Type: Journal of Physical Chemistry; 79; July 31
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  • 2
    Publication Date: 2011-08-18
    Description: Activation energies are calculated by the bond-energy-bond-order (BEBO) and the bond-strength-bond-length (BSBL) methods for the reactions of C2H radicals with H2, CH4, and C2H6 and for the reactions of CN radicals with H2 and CH4. The BSBL technique accurately predicts the activation energies for these reactions while the BEBO method yields energies averaging 9 kcal higher than those observed. A possible reason for the disagreement is considered.
    Keywords: CHEMISTRY AND MATERIALS (GENERAL)
    Type: Journal of Physical Chemistry; 85; Dec. 10
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  • 3
    Publication Date: 2011-08-18
    Description: The vinylidene radical (H2C = C) is proposed as an intermediate in the combination reaction of triplet methylene. The conclusion is based upon the distribution of isotopic acetylenes produced from a 1:1 mixture of CD2 and CH2. The path of the reaction and the energetics of the intermediate species are discussed.
    Keywords: CHEMISTRY AND MATERIALS (GENERAL)
    Type: Journal of Chemical Physics; 76; Jan. 15
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  • 4
    Publication Date: 2019-06-27
    Description: The photolysis of bromacetylene is examined by means of vacuum ultraviolet flash photolysis-kinetic spectroscopy, with attention given to the production of Br atoms in the 2P 0 3/2 and 2P 0 1/2 states, the production of HBr, and UV absorption attributable to the ethynyl radical. Although Br(2P 0 1/2) and Br(2P 0 3/2) were both directly observed at the shortest delay time after the flash, strongly indicating the presence of the ethynyl radical, transient absorption by C2H was not detected in the range 125 to 180 nm. Quenching rate constants for the decay of the 2P 0 1/2 state of Br, which is observed to form concurrently with the ground state, are derived for quenching by He, CH2Br, CF4, and D2 from the pseudo-first-order decay rates. HBr was observed as a secondary photolysis product, and a model of its formation by the exothermic reaction of ground-state atoms with C2HBR, coupled with the secondary production of Br atoms, is found to agree well with the experiment.
    Keywords: CHEMISTRY AND MATERIALS (GENERAL)
    Type: PB80-120868 , Journal of Physical Chemistry; 83; Oct. 18
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  • 5
    Publication Date: 2019-06-27
    Keywords: CHEMISTRY AND MATERIALS (GENERAL)
    Type: PB-294167 , Journal of Physical Chemistry; 83; Feb. 8
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  • 6
    Publication Date: 2019-06-28
    Description: An experiment to measure ethynyl radical reactivity with other simple molecules is described. Flash photolysis of CF3C2H, a C2H precursor, was kinetically and spectroscopically analyzed for C2H reactions with CH4, C2H6, and C2D6 and rate constants for the abstraction reaction at room temperature were determined. The experimental apparatus is described, and the acetylene feedstock purification procedures are outlined. Rate constants are provided, and additional examination of the effects of added helium showed no alterations over the pressure range 20-700 torr.
    Keywords: CHEMISTRY AND MATERIALS (GENERAL)
    Type: Journal of Physical Chemistry; 85; Dec. 10
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