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Title: Communication: Global minimum search of Ag{sub 10}{sup +} with molecular beam optical spectroscopy

The present study is focused on the optical properties of the Ag{sub 10}{sup +} cluster in the photon energy range ℏω = 1.9–4.4 eV. Absorption spectra are recorded by longitudinal molecular beam depletion spectroscopy and compared to optical response calculations using time-dependent density functional theory. Several cluster isomers obtained by the new pool-based parallel implementation of the Birmingham Cluster Genetic Algorithm, coupled with density functional theory, are used in excited state calculations. The experimental observations, together with additional simulations of ion mobilities for the several geometries found within this work using different models, clearly identify the ground state isomer of Ag{sub 10}{sup +} to be composed of two orthogonal interpenetrating pentagonal bipyramids, having overall D{sub 2d} symmetry.
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:
22415334
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 141; Journal Issue: 18; 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; DENSITY FUNCTIONAL METHOD; EXCITED STATES; GROUND STATES; ISOMERS; MOBILITY; MOLECULAR BEAMS; OPTICAL PROPERTIES; PHOTONS; SIMULATION; SPECTROSCOPY; TIME DEPENDENCE