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Updated: May 24, 2026

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
Published on: April 8, 2020
Thermal effects on energetics and dynamics in water cluster anions (H2O)n(-)
Ryan M Young1, Margaret A Yandell, Sarah B King
1Department of Chemistry, University of California, Berkeley, California 94720, USA.
Abstract:
The electron binding energies and relaxation dynamics of water cluster anions (H(2)O)(n)(-) (11 ≤ n ≤ 80) formed in co-expansions with neon were investigated using one-photon and time-resolved photoelectron imaging. Unlike previous experiments with argon, water cluster anions exhibit only one isomer class, the tightly bound isomer I with approximately the same binding energy as clusters formed in argon. This result, along with a decrease in the internal conversion lifetime of excited (H(2)O)(n)(-) (25 ≤ n ≤ 40), indicates that clusters are vibrationally warmer when formed in neon. Over the ranges studied, the vertical detachment energies and lifetimes appear to converge to previously reported values.
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