Interior- and surface-bound excess electron states in large water cluster anions
نویسندگان
چکیده
منابع مشابه
Interior- and surface-bound excess electron states in large water cluster anions.
We present the results of mixed quantum/classical simulations on relaxed thermal nanoscale water cluster anions, (H(2)O)(n)(-), with n=200, 500, 1000, and 8000. By using initial equilibration with constraints, we investigate stable/metastable negatively charged water clusters with both surface-bound and interior-bound excess electron states. Characterization of these states is performed in term...
متن کاملObservation of large water-cluster anions with surface-bound excess electrons.
Anionic water clusters have long been studied to infer properties of the bulk hydrated electron. We used photoelectron imaging to characterize a class of (H2O)n- and (D2O)n- cluster anions (n </= 200 molecules) with vertical binding energies that are significantly lower than those previously recorded. The data are consistent with a structure in which the excess electron is bound to the surface ...
متن کاملSurface and Internal Excess Electron States in Molecular Clusters
Clusters, i.e., finite aggregates containing 2-104 atomic or molecular constituents, exhibit unique physical and chemical phenomena,'-3 which provide ways and means to explore the gradual transition from molecular to condensed-matter systems. Furthermore, the large surface-to-volume ratio in clusters allows for the exploration of microscopic surface phenomena. The progress in our understanding ...
متن کاملCharacterization of excess electrons in water-cluster anions by quantum simulations.
Water-cluster anions can serve as a bridge to understand the transition from gaseous species to the bulk hydrated electron. However, debate continues regarding how the excess electron is bound in (H2O)-n, as an interior, bulklike, or surface electronic state. To address the uncertainty, the properties of (H2O)-n clusters with 20 to 200 water molecules have been evaluated by mixed quantum-classi...
متن کاملComment on "Characterization of excess electrons in water-cluster anions by quantum simulations".
The conclusion by Turi et al. (Reports, 5 August 2005, p. 914) that all experimental spectral and energetic data on water-cluster anions point toward surface-bound electrons is overstated. Comparison of experimental vertical detachment energies with their calculated values for (H2O)n- clusters with surface-bound and internalized electrons supports previous arguments that both types of clusters ...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2009
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.3094732