Experimental and theoretical studies of single excess electrons in sodium chloride cluster anions

Abstract

We have obtained photoelectron spectra for the photodetachment of (NaCl${)}_{\mathit{n}}^{\mathrm{\ensuremath{-}}}$ (n=1--13) cluster anions that are in excellent, quantitative agreement with our calculated values. These anions have a single excess electron attached to a neutral, ionically bound molecule. Their predicted structures, determined by constant-temperature molecular dynamics and simulated annealing, identify three modes for electron attachment. In most cases, the excess electron significantly deforms the cluster anion away from its neutral geometry.