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Electronic photodissociation spectroscopy of Au<sub>n</sub><sup>-</sup>·Xe (n = 7–11) versus time-dependent density functional theory prediction

J. Chem. Phys. 121, 4619 (2004); doi:10.1063/1.1778385

Issue Date: 8 September 2004

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Stefan Gilb, Kerstin Jacobsen, Detlef Schooss, Fillip Furche, Reinhart Ahlrichs, and Manfred M. Kappes
Institut für Physikalische Chemie, Universität Karlsruhe, Kaiserstraße 12, 76128 Karlsruhe, Germany
Electronic (one-photon) photodepletion spectra were recorded for gold cluster anions complexed with one xenon atom over the photon energy range 2.1–3.4 eV. Clusters were generated by pulsed laser vaporization and probed under collisionless molecular beam conditions. The spectra obtained are highly structured with the narrowest features—assigned to individual electronic transitions—having bandwidths of less than 40 meV. Time-dependent density functional theory predictions of optically allowed transitions for the most stable—planar—isomers of the corresponding bare metal cluster anions are generally consistent with the experimental observation. ©2004 American Institute of Physics.
History: Received 26 May 2004; accepted 11 June 2004
Permalink: http://link.aip.org/link/?JCPSA6/121/4619/1
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KEYWORDS and PACS

Keywords
PACS
  • 82.50.-m
    Photochemistry
  • 33.80.Gj
    Diffuse molecular spectra; predissociation, photodissociation
  • 36.40.Mr
    Spectroscopy and geometrical structure of atomic and molecular clusters
  • 31.15.Ew
    Density-functional theory (atoms and molecules)
  • 81.15.Fg
    Laser deposition
  • 33.70.Ca
    Molecular oscillator and band strengths, lifetimes, transition moments, and Franck–Condon factors
  • 33.15.Hp
    Molecular barrier heights (internal rotation, inversion, rotational isomerism, conformational dynamics)
  • YEAR: 2004

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PUBLICATION DATA

ISSN:
0021-9606 (print)   1089-7690 (online)
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