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Surface and interior states of iodide—water clusters

✍ Scribed by Jaime E. Combariza; Neil R. Kestner; Joshua Jortner

Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
483 KB
Volume
221
Category
Article
ISSN
0009-2614

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✦ Synopsis

We present ab initio molecular orbital calculations on vertical ionization potentials of surface and interior anion structures of I -( HzO), (n = 7, 8) clusters. The 'magic number' in the differential ionization potential of I-(HsO), 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.

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