Direct dynamics of F + CCl<sub>3</sub>Br reactive scattering

Jarvis, R.D.; Firth, Neil C.; Smith, David J.; Grice, R.

doi:10.1080/00268979300101241

Cited by 2 publications

(1 citation statement)

References 26 publications

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“…In the F + C12 reaction where there is more limited charge transfer interaction than for F + Br2, the reactant transition state (12) is formed at the top of a low potential energy barrier in the entrance valley of the potential energy surface. As described previously (37), the dynamics of the F + CC13Br reaction show close agreement with the DIPR model and are consistent with the predominance of direct trajectories. This contrasts with the F + Br2 reaction dynamics where migratory trajectories foster more sharply peaked forward scattering.…”

Section: Discussionsupporting

confidence: 64%

Transition state dynamics of F + Br₂ reactive scattering

Zhu¹,

White²,

Smith³

et al. 1994

Can. J. Chem.

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. 72,523 (1994).Reactive scattering of F atoms with Br2 molecules has been studied at an initial translational energy E -16 kJ mol-I using a supersonic beam of F atoms seeded in Ne buffer gas. Laboratory angular and velocity distributions of BrF product have been measured. They show sharp peaking in the forward direction with almost isotropic wide angle scattering of relative intensity -0.2. Approximately half the total available energy is disposed into product translation for scattering in the forward and backward directions with slightly lower translational energy for the sideways scattering. The combination of sharp forward scattering and high product translational energy is attributed to early migratory trajectories in large impact parameter collisions whereby the F atom reacts with the more distant Br atom of the Br2 molecule lying in the forward hemisphere. The isotropic wide angle scattering arises from direct trajectories in which the F atom reacts with the nearer Br atom of the Br2 molecule. Migratory dynamics are promoted by charge transfer interaction of the form Br2+F which stabilises the potential energy surface in elongated isosceles triangular FBr2 configurations as well as in slightly bent FBrBr configurations. Comparison is made with the dynamics of the F + C12, I?, and CCI3Br reactions.ZHEN ZHENG ZHU, RICHARD W.P. WHITE, DAVID 5. SMITH et ROGER GRICE. Can. J. Chem. 72,523 (1994).Utilisant un rayon supersonique d'atomes de fluor places dans un gaz tampon de Ne et operant i une Cnergie initiale de translation d'environ 16 kJ mol-', on a Ctudit la diffusion rkactive des atomes de fluor par des molCcules de brome. On a mesurC les distributions des vitesses et des angles du produit BrF; la vitesse prCsente un important maximum dans la direction avant avec un grand angle de dispersion pratiquement isotrope d'intensitC relative d'environ 0,2. Environ la moitit de 1'Cnergie totale disponible est utilisCe pour provoquer une translation du produit dans les directions avant et arrikre alors qu'une quantitt ICgtrement infkrieure d'Cnergie de translation est utilisCe pour une diffusion IatCrale. On attibue la combinaison d'une diffusion importante vers l'avant et d'une tnergie de translation tlevee du produit i d e s trajectoires de migration precoces dans des collisions avec des paramktres d'impact importants alors que l'atome de fluor rCagit avec l'atome de brome de la moltcule de Br2 se trouvant dans l'htmisphtre avant. Le grand angle de dispersion isotrope dtcoule de trajectoires directes dans lesquelles l'atome de fluor rCagit avec l'atome de brome le plus prks dans la molCcule de Br2 Les dynamiques migratoires sont amplifiCes par l'interaction de transfert de charge de la forme B r 2 + F qui stabilise la surface d'tnergie potentielle dans les configurations ClongCes de forme triangle isoctle du FBr2 ainsi que dans les configurations Itgerement dCformCes du FBrBr. On a fait une comparaison des dynamiques des reactions des atomes de fluor avec respectivement le Clz, le I2 et le CC13Br.[Traduit par la re...

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Section: Discussionsupporting

confidence: 64%

Transition state dynamics of F + Br₂ reactive scattering

Zhu¹,

White²,

Smith³

et al. 1994

Can. J. Chem.

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Chemical reaction dynamics with molecular beams

2000

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This review describes advances which have occurred during the past decade in chemical reaction dynamics using crossed molecular beams. After a brief historical introduction, advances in the generation and state selection of beams of reactants, and in the schemes for product detection, which are at the basis of our increased ability to measure state-averaged and state-resolved reactive differential cross sections in crossed beam experiments, are described. The novel couplings of laser and synchrotron radiation to these experiments are noted. A selection of case studies are considered in some detail, to exemplify recent improvements in our understanding of gas-phase neutral reaction dynamics. The examples include prototype reactions involving three-atom and four-atom systems, and the results are discussed in the light of the most recent, synergistic, theoretical developments for treating both the potential energy surfaces and the reaction dynamics. Progress made in studies of reactions of molecular radicals and of chemically important atoms, such as carbon, nitrogen, and oxygen, with polyatomic molecules, as made possible by recent developments in the classic crossed beam technique with mass spectrometric detection, is emphasized. Some complementary techniques that recently have contributed to our understanding of chemical reactivity are also described briefly.

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Direct dynamics of F + CCl₃Br reactive scattering

Cited by 2 publications

References 26 publications

Transition state dynamics of F + Br₂ reactive scattering

Transition state dynamics of F + Br₂ reactive scattering

Chemical reaction dynamics with molecular beams

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Direct dynamics of F + CCl3Br reactive scattering

Cited by 2 publications

References 26 publications

Transition state dynamics of F + Br2 reactive scattering

Transition state dynamics of F + Br2 reactive scattering

Chemical reaction dynamics with molecular beams

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Direct dynamics of F + CCl₃Br reactive scattering

Transition state dynamics of F + Br₂ reactive scattering

Transition state dynamics of F + Br₂ reactive scattering