Experimental and Computational Studies of the Kinetics of the Reaction of Hydrogen Atoms with Carbon Disulfide

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Article discussing an investigation of the reaction of H + CS₂ products. The reaction was found to be pressure dependent and in the fall-off region or near the low pressure limit. Transition state theory yields an estimate for the high-pressure limit of addition over 290–300 K of 1.3 × 10−9 exp( −7.2 kJ mol −1 /RT) cm3 molecule −1 s −1. Uncertainties are discussed in the text.

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7 p. : ill.

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Kerr, Katherine E.; Gao, Yide & Marshall, Paul July 7, 2018.

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  • Elsevier
    Publisher Info: www.elsevier.com/locate/proci
    Place of Publication: [Oxford, United Kingdom]

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Article discussing an investigation of the reaction of H + CS₂ products. The reaction was found to be pressure dependent and in the fall-off region or near the low pressure limit. Transition state theory yields an estimate for the high-pressure limit of addition over 290–300 K of 1.3 × 10−9 exp( −7.2 kJ mol −1 /RT) cm3 molecule −1 s −1. Uncertainties are discussed in the text.

Physical Description

7 p. : ill.

Notes

Pulsed laser photolysis at 193 nm of NH3 /CS2 mixtures in an Ar bath gas combined with resonance flu- orescence detection of atomic H yielded the rate constant for H + CS2 over 295–490 K. The reaction was found to be pressure dependent and in the fall-off region or near the low pressure limit. Fitting to the Troe formalism yielded k0 = 7.5 × 10 −24 ( T /300 K) −14.76 exp( −5180 K/ T) cm6 molecule −2 s −1 over 295–490 K. At 490 K equilibration of adduct formation was observed which yielded a H-SCS bond dissociation enthalpy of 73 ± 10 kJ mol −1 . These observations are consistent with W1 results for the potential energy surface and comparison suggests HSCS is the major addition product. Transition state theory yields an estimate for the high-pressure limit of addition over 290–300 K of 1.3 × 10 −9 exp( −7.2 kJ mol −1 /RT) cm3 molecule −1 s −1 . Uncertainties are discussed in the text.

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  • Proceedings of the Combustion Institute 37 (2019) 373-379

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  • Publication Title: Proceedings of the Combustion Institute
  • Volume: 37
  • Page Start: 373
  • Page End: 379
  • Pages: 7

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  • July 7, 2018

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  • Aug. 14, 2019, 12:12 p.m.

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Kerr, Katherine E.; Gao, Yide & Marshall, Paul. Experimental and Computational Studies of the Kinetics of the Reaction of Hydrogen Atoms with Carbon Disulfide, article, July 7, 2018; [Oxford, United Kingdom]. (https://digital.library.unt.edu/ark:/67531/metadc1531971/: accessed September 17, 2019), University of North Texas Libraries, Digital Library, https://digital.library.unt.edu; crediting UNT College of Arts and Sciences.