Repository: Freie Universit├Ąt Berlin, Math Department

Reactive Collisions as a Signature for Meltinglike Transitions in Clusters

Schmidt, B. and Gerber, R. B. (1994) Reactive Collisions as a Signature for Meltinglike Transitions in Clusters. Phys. Rev. Lett., 72 (15). pp. 2490-2493.

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Official URL: http://dx.doi.org/10.1103/PhysRevLett.72.2490

Abstract

The formation of HCl molecules in collisions of H atoms with Cl(Ar)12 clusters is studied by classical trajectory calculations as a function of the cluster temperature. At sufficiently low impact energy (E=10 kJ/mol) a pronounced threshold effect with temperature is observed: In the solidlike regime of the cluster (T<40 K) there is a strong screening of the Cl atom by the icosahedral Ar solvation shell preventing H + Cl association. In the liquidlike phase of the aggregate (T=45 K) a sharp onset of reactivity is found with a reactive cross section of 11.4 x 10-20 m2.

Item Type:Article
Subjects:Physical Sciences > Physics > Mathematical & Theoretical Physics > Computational Physics
Physical Sciences > Chemistry > Physical Chemistry
ID Code:870
Deposited By: Burkhard Schmidt
Deposited On:18 Mar 2010 07:37
Last Modified:03 Mar 2017 14:40

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