Kinetics of the reaction of trifluoromethyl radicals with hydrogen sulfide

Kale, Jayavant D.; Timmons, Richard B.

doi:10.1021/j100858a050

Cited by 10 publications

(1 citation statement)

References 2 publications

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“…In particular there is a wide variation in the reported values l 5-17 of the activation energy for CH 3 + H 2 S, and there are two disparate values for CF 3 + H2S corresponding to studies in static 14 ,18 and flow systems. 19 The activation energy for CF 3 + HCI has been measured twice,t3,14 agreement between these values being good, but the value 12 for CH 3 + HCI is very low and therefore mbject to considerable experimental error. Activation energies for abstraction by CH3 from H2 range between 9.…”

Section: Activation Energiesmentioning

confidence: 88%

BEBO Calculations. I. Activation Energies and Kinetic Isotope Effects for the Reactions of CH3 and CF3 Radicals with HCl and H2S

Arthur

McDonell

1972

The Journal of Chemical Physics

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Use of an improved ion-solvent potentialenergy function to calculate the reaction rate and αdeuterium and microsolvation kinetic isotope effects for the gasphase S N 2 reaction of Cl−(H2O) with CH3ClA new potential energy surface for the CH3+H2↔CH4+H reaction: Calibration and calculations of rate constants and kinetic isotope effects by variational transition state theory and semiclassical tunneling calculationsThe BEBO method has been used to calculate activation energies, tunneling corrections, and kinetic isotope effects for the reactions of CHa and CFa radicals with HCI and H2S on the basis of a three-atom model for the activated complex. For comparison with previous work, calculations were also made for the reactions of CHa and CFa with H2 and SiH,. The theoretical values are compared with the corresponding experimental results, and the role of tunneling, the variation of input data, and the effect of the polarity of the substrate are discussed.

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Section: Activation Energiesmentioning

confidence: 88%

BEBO Calculations. I. Activation Energies and Kinetic Isotope Effects for the Reactions of CH3 and CF3 Radicals with HCl and H2S

Arthur

McDonell

1972

The Journal of Chemical Physics

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ESR‐spektroskopische Untersuchung der Reaktion von atomarem Wasserstoff mit H₂S

Mihelcic

Schindler

1970

Ber Bunsenges Phys Chem

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Die Konzentrationen der intermediären Spezies H(D), SH und S in der Reaktion zwischen atomarem H(D) und H2S wurden in einem Strömungssystem bei linearen Strömungsgeschwindigkeiten von 500 – 5000 cm · sec−1 ESR‐spektrometrisch verfolgt. Diese kinetischen Messungen wurden durch massenspektroskopische Produktanalysen ergänzt. Die Temperaturabhängigkeit der Reaktion im Bereich −30° bis + 95°C ergibt eine Aktivierungsenergie von (1680 ± 50) cal · mol−1. Die folgenden Geschwindigkeitskonstanten (bei 300°K) wurden ermittelt:magnified imageDer experimentelle Frequenzfaktor A = (1,7 ± 0,1) × 10−11 cm3 · Molekül−1 · sec−1 steht in guter Übereinstimmung mit dem aus der Theorie des Übergangszustandes nach der Methode von Benson berechneten Wert.

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Kinetics of the Hydrogen Abstraction from Hydrogen Cyanide by Trifluoromethyl Radicals

Lane

Oexler

Staricco

1983

Ber Bunsenges Phys Chem

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Kinetics of the reaction of trifluoromethyl radicals with hydrogen sulfide

Cited by 10 publications

References 2 publications

BEBO Calculations. I. Activation Energies and Kinetic Isotope Effects for the Reactions of CH3 and CF3 Radicals with HCl and H2S

BEBO Calculations. I. Activation Energies and Kinetic Isotope Effects for the Reactions of CH3 and CF3 Radicals with HCl and H2S

ESR‐spektroskopische Untersuchung der Reaktion von atomarem Wasserstoff mit H₂S

Kinetics of the Hydrogen Abstraction from Hydrogen Cyanide by Trifluoromethyl Radicals

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Kinetics of the reaction of trifluoromethyl radicals with hydrogen sulfide

Cited by 10 publications

References 2 publications

BEBO Calculations. I. Activation Energies and Kinetic Isotope Effects for the Reactions of CH3 and CF3 Radicals with HCl and H2S

BEBO Calculations. I. Activation Energies and Kinetic Isotope Effects for the Reactions of CH3 and CF3 Radicals with HCl and H2S

ESR‐spektroskopische Untersuchung der Reaktion von atomarem Wasserstoff mit H2S

Kinetics of the Hydrogen Abstraction from Hydrogen Cyanide by Trifluoromethyl Radicals

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ESR‐spektroskopische Untersuchung der Reaktion von atomarem Wasserstoff mit H₂S