Comment on "Characterization of excess electrons in water-cluster anions by quantum simulations".
نویسندگان
چکیده
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 exist.
منابع مشابه
Characterization 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 کاملInterior- 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 کاملAnalysis of localization sites for an excess electron in neutral methanol clusters using approximate pseudopotential quantum-mechanical calculations.
We have used a recently developed electron-methanol molecule pseudopotential in approximate quantum mechanical calculations to evaluate and statistically analyze the physical properties of an excess electron in the field of equilibrated neutral methanol clusters ((CH(3)OH)(n), n=50-500). The methanol clusters were generated in classical molecular dynamics simulations at nominal 100 and 200 K te...
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 کاملINVITED TOPICAL REVIEW Spectroscopy and dynamics of excess electrons in clusters
Anionic clusters comprising solvent molecules and excess electrons can provide new insights into electron solvation in liquids, an intrinsically bulk phenomenon. This paper reviews experimental and theoretical studies of this class of clusters, focusing primarily on water cluster anions, ðH2OÞ n , but also on iodide-water clusters, I (H2O)n, and methanol cluster anions ðCH3OHÞ n . Issues of par...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
عنوان ژورنال:
- Science
دوره 310 5755 شماره
صفحات -
تاریخ انتشار 2005