Communications: Observation of two classes of isomers of hydrated electrons in sodium-water clusters

J Chem Phys. 2010 Jun 14;132(22):221102. doi: 10.1063/1.3439393.

Abstract

A new class of sodium-water clusters with a low lying ionization potential (IP) is characterized by their photoionization spectra in molecular beam experiments. This implies that Na(H(2)O)(n) clusters coexist for n>or=15 in two forms of significant abundances being distinguished by their IPs of approximately 2.8 and approximately 3.2 eV. A tentative quantum chemical characterization was achieved by simulating ionization spectra for selected cluster sizes using an ab initio molecular dynamics approach. Experiment and theory suggest that the Na(+)-e(-) distance is significantly larger in the clusters with the lower IP. This indicates that the solvated electron in Na(H(2)O)(n) clusters very probably forms with the Na(+) counterion both a solvent separated and a contact ion pair.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Electrons*
  • Isomerism
  • Quantum Theory
  • Rotation
  • Sodium / chemistry*
  • Water / chemistry*

Substances

  • Water
  • Sodium