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Schultz, Thomas
CRASY(Correlated Rotational Alignment Spectroscopy)
Research Interests
  • Correlated spectroscopy

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Role of alkali cations for the excited state dynamics of liquid water near the surface

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Title
Role of alkali cations for the excited state dynamics of liquid water near the surface
Author
Buchner, FranziskaRitze, Hans-HermannBeutler, MarcusSchultz, ThomasHertel, Ingolf V.Luebcke, Andrea
Keywords
Ab initio calculations; Alkali cations; Dielectric continuum model; Excited-state dynamics; Hydrated complexes; Liquid jets; Liquid water; Liquid water surface; Solvated electron; Time-resolved; Vacuum ultraviolets; Vertical ionization energy; Water molecule
Issue Date
201207
Publisher
AMER INST PHYSICS
Citation
JOURNAL OF CHEMICAL PHYSICS, v.137, no.2, pp.024503 -
Abstract
Time-resolved liquid jet photoelectron spectroscopy was used to explore the excited state dynamics at the liquid water surface in the presence of alkali cations. The data were evaluated with the help of ab initio calculations on alkali-water clusters and an extension of these results on the basis of the dielectric continuum model: 160nm, sub-20fs vacuum ultraviolet pulses excite water molecules in the solvent shell of Na + or K + cations and evolve into a transient hydrated complex of alkali-ion and electron. The vertical ionization energy of this transient is about 2.5eV, significantly smaller than that of the solvated electron. ⓒ 2012 American Institute of Physics.
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DOI
http://dx.doi.org/10.1063/1.4732582
ISSN
0021-9606
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SNS_Journal Papers
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