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Title: Optical and electronic properties of mixed Ag-Au tetramer cations

We present experimental and theoretical studies of the optical response of mixed Ag {sub n} Au {sub 4−n}{sup +} (n=1–3) clusters in the photon energy range ℏω = 1.9–3.5 eV. Absorption spectra are recorded by a newly built longitudinal molecular beam depletion spectroscopy apparatus providing lower limits to absolute photodissociation cross sections. The experimental data are compared to optical response calculations in the framework of long-range corrected time-dependent density functional theory with initial cluster geometries obtained by the unbiased Birmingham Cluster Genetic Algorithm coupled with density functional theory. Experiments and excited state calculations shed light on the structural and electronic properties of the mixed Ag-Au tetramer cations.
Authors:
;  [1] ; ;  [2]
  1. Eduard-Zintl-Institut, Technische Universität Darmstadt, Alarich-Weiss-Straße 8, 64287 Darmstadt (Germany)
  2. School of Chemistry, University of Birmingham, Edgbaston, Birmingham B15 2TT (United Kingdom)
Publication Date:
OSTI Identifier:
22255029
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 140; Journal Issue: 5; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; ABSORPTION SPECTRA; CATIONS; CROSS SECTIONS; DENSITY FUNCTIONAL METHOD; DISSOCIATION; EV RANGE; EXCITED STATES; MOLECULAR BEAMS; PHOTOLYSIS; TIME DEPENDENCE