Photoelectron Spectroscopy of Large Water Cluster Anions

J Phys Chem A. 2021 Sep 30;125(38):8426-8433. doi: 10.1021/acs.jpca.1c06761. Epub 2021 Sep 17.

Abstract

Photoelectron spectra of large size selected water cluster anions (H2O)n- (n = 100-1100) have been measured at a low cluster temperature (80 K). An extensive peak analysis has been conducted in order to determine average and isomer-resolved vertical detachment energies (VDE) of the hydrated electron. This allows us, in combination with the reevaluated data of the previously reported results on small- and medium-sized water cluster anions ( J. Chem. Phys. 2009, 131, 144303), to draw a comprehensive picture of the size-dependent development of the VDEs of water clusters. This allows for an improved extrapolation of the cluster VDEs to the bulk, which yields a value of 3.60 ± 0.03 eV. The general size dependence of the VDEs is in very good agreement with a standard dielectric model.