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Surface entropy of rare-gas clusters

Abundances of Ar N + and Xe N + clusters produced in a supersonic expansion source are inverted to find relative dissociation energies. The values around the shell and subshell closings at N = 55 , 71, and 147 differ from theoretical values derived from ground-state energies of Lennard-Jones cluster...

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Bibliographic Details
Published in:The Journal of chemical physics 2005-08, Vol.123 (8), p.084317-084317-10
Main Authors: Prasalovich, S., Hansen, K., Kjellberg, M., Popok, V. N., Campbell, E. E. B.
Format: Article
Language:English
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Summary:Abundances of Ar N + and Xe N + clusters produced in a supersonic expansion source are inverted to find relative dissociation energies. The values around the shell and subshell closings at N = 55 , 71, and 147 differ from theoretical values derived from ground-state energies of Lennard-Jones clusters. A significant part of the difference can be accounted for by the conformational entropies of surface atoms and vacancies.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.2008948