منابع مشابه
Structures, energetics, and spectra of hydrated hydroxide anion clusters.
The structures, energetics, electronic properties, and spectra of hydrated hydroxide anions are studied using density functional and high level ab initio calculations. The overall structures and binding energies are similar to the hydrated anion clusters, in particular, to the hydrated fluoride anion clusters except for the tetrahydrated clusters and hexahydrated clusters. In tetrahydrated syst...
متن کاملInfrared spectroscopy of hydrated bicarbonate anion clusters: HCO3(-)(H2O)(1-10).
Infrared multiple photon dissociation spectra are reported for HCO(3)(-)(H(2)O)(1-10) clusters in the spectral range of 600-1800 cm(-1). In addition, electronic structure calculations at the MP2/6-311+G(d,p) level have been performed on the n = 1-8 clusters to identify the structure of the low-lying isomers and to assign the observed spectral features. General trends in the stepwise solvation m...
متن کاملStructures and energetics of hydrated deprotonated cis-pinonic acid anion clusters and their atmospheric relevance.
Pinonic acid, a C10-monocarboxylic acid with a hydrophilic -CO2H group and a hydrophobic hydrocarbon backbone, is a key intermediate oxidation product of α-pinene - an important monoterpene compound in biogenic emission processes that influences the atmosphere. Molecular interaction between cis-pinonic acid and water is essential for understanding its role in the formation and growth of pinene-...
متن کاملBulk-like features in the photoemission spectra of hydrated doubly charged anion clusters.
We produced gaseous hydrated clusters of sulfate and oxalate anions [SO4(2-)-(H2O)n and C2O4(2-)(H2O)n, where n = 4 to 40]. Photoelectron spectra of these clusters revealed that the solute dianions were in the center of the water cluster, (H2O)n. For small clusters, these spectra were characteristic of the respective solutes, but beyond the first solvation shell (n approximately 12), features i...
متن کاملHydrated electron dynamics: from clusters to bulk.
The electronic relaxation dynamics of size-selected (H2O)n-/(D2O)n[25 </= n </= 50] clusters have been studied with time-resolved photoelectron imaging. The excess electron (ec-) was excited through the ec-(p)<--ec-(s) transition with an ultrafast laser pulse, with subsequent evolution of the excited state monitored with photodetachment and photoelectron imaging. All clusters exhibited p-state ...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2007
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.2778423