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/content/aip/journal/jcp/132/22/10.1063/1.3439393
2010-06-10
2016-12-06

Abstract

A new class of sodium-water clusters with a low lying ionization potential (IP) is characterized by their photoionizationspectra in molecular beam experiments. This implies that clusters coexist for in two forms of significant abundances being distinguished by their IPs of and . A tentative quantum chemical characterization was achieved by simulating ionizationspectra for selected cluster sizes using an ab initio molecular dynamics approach. Experiment and theory suggest that the distance is significantly larger in the clusters with the lower IP. This indicates that the solvated electron in clusters very probably forms with the counterion both a solvent separated and a contact ion pair.

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