Branching fractions for CCl(X) in the dissociative energy transfer reactions of Ar(3P2,0) with chloromethanes

Sekiya, Hiroshi; Nishimura, Yukio

doi:10.1016/0009-2614(90)85509-b

Cited by 5 publications

(1 citation statement)

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“…Bulk experiments were performed by Setser et al., − who derived, from flowing-afterglow studies, the spectroscopic properties, the disposal of available energy into product vibration and the thermal rate constants, for reactions between metastable rare gas atoms and halide molecules (of the type MX, X 2 , and XY, where M = CH 3 , ... and X,Y = F, Cl, Br, ...). Most of the above experiments have been performed on homonuclear diatomic halogen molecules, ,,− information concerning the heteronuclear variant being less frequent. ,,− However, as will be seen below, this latter case allows for the possibility of analyzing excimer formation within competing mechanisms, thus providing, in principle, a more complex reactive process.…”

Section: Introductionmentioning

confidence: 99%

Dynamics of Excited Rare-Gas Atoms with Halide Molecules: The Ar(³P) + ClF → ArCl* + F, ArF* + Cl Reaction

et al. 2000

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The product species originating from the interaction between metastable Ar atoms and the ClF molecules were studied using theoretical (structure and dynamics) methods. Quasiclassical trajectory calculations were carried out on an analytical, monovalued potential energy surface. The energy surface was obtained by means of a fit to CIS (UHF) ab initio points calculated for a set of relevant triatomic configurations, adequately connected to assume that the reaction takes place adiabatically. Cross sections, rate constants, and products' energy disposal for both ArCl* and ArF* excimer formation were calculated, showing a dominancy of the less stable ArCl* + F channel. In addition, angular distributions and rotational alignments for both product channels were analyzed. The influence of reactant internal excitation on integral cross sections and product energy distributions was also studied, considering a wide range of initial rovibrational levels. A remarkable enhancing effect of the reactant rotation was found, as compared to vibration, for the ArCl* product, whereas the opposite trend is observed for the ArF* channel. Whenever possible, the observed behavior was related to both HHL and HLH kinematical considerations. The effect of rotational excitation was used as well to elucidate the angular momentum transfer mechanism among the two competing reaction channels. The role of a relevant rotation-orbiting coupling was identified. Results are found to be, overall, in agreement with the available experimental information, for the title reaction as well as other related systems. This indicates that the fundamental assumption of the present work, namely that the reaction proceeds on a single excited adiabatic potential surface, is accurate enough to account for the main trends of the reaction dynamics.

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Section: Introductionmentioning

confidence: 99%

Dynamics of Excited Rare-Gas Atoms with Halide Molecules: The Ar(³P) + ClF → ArCl* + F, ArF* + Cl Reaction

et al. 2000

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UV spectra and kinetics of radicals produced in the gas phase reactions of Cl, F and OH with toluene

Markert¹,

Pagsberg²

1993

Chemical Physics Letters

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Production mechanism of H* in the He (2 3S)+CH2Cl2 reaction

Wu¹,

Mendis²,

Abrahim³

et al. 1993

Chemical Physics Letters

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Branching fractions for CCl(X) in the dissociative energy transfer reactions of Ar(3P2,0) with chloromethanes

Cited by 5 publications

References 24 publications

Dynamics of Excited Rare-Gas Atoms with Halide Molecules: The Ar(³P) + ClF → ArCl* + F, ArF* + Cl Reaction

Dynamics of Excited Rare-Gas Atoms with Halide Molecules: The Ar(³P) + ClF → ArCl* + F, ArF* + Cl Reaction

UV spectra and kinetics of radicals produced in the gas phase reactions of Cl, F and OH with toluene

Production mechanism of H* in the He (2 3S)+CH2Cl2 reaction

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Branching fractions for CCl(X) in the dissociative energy transfer reactions of Ar(3P2,0) with chloromethanes

Cited by 5 publications

References 24 publications

Dynamics of Excited Rare-Gas Atoms with Halide Molecules: The Ar(3P) + ClF → ArCl* + F, ArF* + Cl Reaction

Dynamics of Excited Rare-Gas Atoms with Halide Molecules: The Ar(3P) + ClF → ArCl* + F, ArF* + Cl Reaction

UV spectra and kinetics of radicals produced in the gas phase reactions of Cl, F and OH with toluene

Production mechanism of H* in the He (2 3S)+CH2Cl2 reaction

Contact Info

Product

Resources

About

Dynamics of Excited Rare-Gas Atoms with Halide Molecules: The Ar(³P) + ClF → ArCl* + F, ArF* + Cl Reaction

Dynamics of Excited Rare-Gas Atoms with Halide Molecules: The Ar(³P) + ClF → ArCl* + F, ArF* + Cl Reaction