Photoelectron spectroscopy and density functional theory calculation of Nan(CS2)- cluster negative ions for n=1 and 2

Abstract

Photoelectron spectroscopy of Nan(CS2)- cluster negative ions has been investigated for n=1 and 2. The photoelectron band for the lowest electron binding energy is found to shift to lower energy with increasing n from 0 to 2. This behavior is interpreted, with the results of calculations based on the density functional theory, that the excess electron in these negative cluster ions is predominantly localized on CS2. The corresponding neutral clusters are found to possess ion-pair nature and have structures similar to those of the negative ions. © 2004 Elsevier B.V. All rights reserved.