Driving high threshold chemical reactions by cluster-surface collisions: Molecular dynamics simulations for CH3I clusters

Haya Kornweitz; T. Raz; R. D. Levine

doi:10.1021/jp991823h

Driving high threshold chemical reactions by cluster-surface collisions: Molecular dynamics simulations for CH₃I clusters

Haya Kornweitz, T. Raz, R. D. Levine

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Abstract

Computational results for the surface impact of (CH₃I)_n clusters are presented, and the dynamics of formation of molecular products is examined. The mechanism is compared to the high energy bimolecular CH₃I + CH₃I collision and to other reactions in impact-heated clusters, in particular, the burning of air. The results are discussed in reference to the experimentally observed formation of molecular iodine (as I₂^-) in surface collisions of (CH₃I)_n^- clusters.

Original language	English
Pages (from-to)	10179-10186
Number of pages	8
Journal	Journal of Physical Chemistry A
Volume	103
Issue number	49
DOIs	https://doi.org/10.1021/jp991823h
State	Published - 9 Dec 1999
Externally published	Yes

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abstract = "Computational results for the surface impact of (CH3I)n clusters are presented, and the dynamics of formation of molecular products is examined. The mechanism is compared to the high energy bimolecular CH3I + CH3I collision and to other reactions in impact-heated clusters, in particular, the burning of air. The results are discussed in reference to the experimentally observed formation of molecular iodine (as I2-) in surface collisions of (CH3I)n- clusters.",

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N2 - Computational results for the surface impact of (CH3I)n clusters are presented, and the dynamics of formation of molecular products is examined. The mechanism is compared to the high energy bimolecular CH3I + CH3I collision and to other reactions in impact-heated clusters, in particular, the burning of air. The results are discussed in reference to the experimentally observed formation of molecular iodine (as I2-) in surface collisions of (CH3I)n- clusters.

AB - Computational results for the surface impact of (CH3I)n clusters are presented, and the dynamics of formation of molecular products is examined. The mechanism is compared to the high energy bimolecular CH3I + CH3I collision and to other reactions in impact-heated clusters, in particular, the burning of air. The results are discussed in reference to the experimentally observed formation of molecular iodine (as I2-) in surface collisions of (CH3I)n- clusters.

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Driving high threshold chemical reactions by cluster-surface collisions: Molecular dynamics simulations for CH₃I clusters

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