Surface and interior states of iodide-water clusters

Jaime E. Combariza*, Neil R. Kestner, Joshua Jortner

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

Abstract

We present ab initio molecular orbital calculations on vertical ionization potentials of surface and interior anion structures of I-(H2O)n (n=7, 8) clusters. The 'magic number' in the differential ionization potential of I-(H2O)6 is accounted for by the dominance of surface structures for n=2-5, the 'transition' from a surface structure to an interior structure at n=6 and the prevalence of the solvation shell closure for n=7, 8.

Original languageEnglish
Pages (from-to)156-160
Number of pages5
JournalChemical Physics Letters
Volume221
Issue number1-2
DOIs
StatePublished - 15 Apr 1994

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