Fragmentation Behavior and Ionization Potentials of Lead Clusters Pb-n(n <= 30)

TitleFragmentation Behavior and Ionization Potentials of Lead Clusters Pb-n(n <= 30)
Publication TypeJournal Article
Year of Publication2010
AuthorsLi XP, Zhang W, Lu WC, Wang CZ, Ho KM
Journal TitleChemical Research in Chinese Universities
Volume26
Pages996-1001
Date Published11
ISBN Number1005-9040
Accession NumberISI:000285276600028
Keywordsfragmentation, ge, ionization potential, ions, patterns, pb, pb cluster, si, tin
Abstract

The properties of Pb-n(n=2-30) clusters including binding energies, second differences in energy, and HOMO-LUMO gaps, especially fragmentation energies and ionization potentials, have been studied by ab initio calculation. The main fragmentation products of Pb-n(+) are shown to be Pb+Pb-n-1(+) for n <= 14 and two small cluster fragments for larger ones with n>14. The Pb-13(+) appears frequently as the products in the fragmentations of large clusters. Also, the calculated ionization potentials of the clusters are consistent with the experiment data.

URL<Go to ISI>://000285276600028
Alternate JournalChem Res Chinese U