REACTIVE COLLISIONS AS A SIGNATURE FOR MELTINGLIKE TRANSITIONS IN CLUSTERS

Citation:

Schmidt, B. ; Gerber, R. B. REACTIVE COLLISIONS AS A SIGNATURE FOR MELTINGLIKE TRANSITIONS IN CLUSTERS. PHYSICAL REVIEW LETTERS 1994, 72, 2490-2493.

Date Published:

APR 11

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 less-than-or-equal-to 40 K) there is strong screening of the Cl atom by the icosahedral Ar solvation shell preventing H+Cl association. In the liquidlike phase of the aggregate (T almost-equal-to 45 K) a sharp onset of reactivity is found with a reactive cross section of 11.4 x 10(-20) m2.