4.8 Article

HF(v′=3) forward scattering in the F+H2 reaction:: Shape resonance and slow-down mechanism

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NATL ACAD SCIENCES
DOI: 10.1073/pnas.0710840105

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chemical reaction dynamics; crossed molecular beam experiment; potential energy surface

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Crossed molecular beam experiments and accurate quantum dynamics calculations have been carried out to address the long standing and intriguing issue of the forward scattering observed in the F + H2 -> HF(v' = 3) + H reaction. Our study reveals that forward scattering in the reaction channel is not caused by Fesh-bach or dynamical resonances as in the F + H-2 -> HF(v = 2) + H reaction. It is caused predominantly by the slow-down mechanism over the centrifugal barrier in the exit channel, with some small contribution from the shape resonance mechanism in a very small collision energy regime slightly above the HF(v' = 3) threshold. Our analysis also shows that forward scattering caused by dynamical resonances can very likely be accompanied by forward scattering in a different product vibrational state caused by a slow-down mechanism.

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