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Title: Aluminum Zintl anion moieties within sodium aluminum clusters

Through a synergetic combination of anion photoelectron spectroscopy and density functional theory based calculations, we have established that aluminum moieties within selected sodium-aluminum clusters are Zintl anions. Sodium–aluminum cluster anions, Na{sub m}Al{sub n}{sup −}, were generated in a pulsed arc discharge source. After mass selection, their photoelectron spectra were measured by a magnetic bottle, electron energy analyzer. Calculations on a select sub-set of stoichiometries provided geometric structures and full charge analyses for both cluster anions and their neutral cluster counterparts, as well as photodetachment transition energies (stick spectra), and fragment molecular orbital based correlation diagrams.
Authors:
; ; ; ; ; ;  [1] ;  [2] ;  [3] ; ;  [4] ;  [5] ;  [6]
  1. Department of Chemistry, Johns Hopkins University, Baltimore, Maryland 21218 (United States)
  2. Institute of Inorganic Chemistry, Karlsruhe Institute of Technology, 76128 Karlsruhe (Germany)
  3. Department of Chemistry, University of Maryland at College Park, College Park, Maryland 20742 (United States)
  4. Department of Physics, Virginia Commonwealth University, Richmond, Virginia 23284 (United States)
  5. Department of Physics, West Chester University of Pennsylvania, West Chester, Pennsylvania 19383 (United States)
  6. Department of Chemistry, McNeese State University, Lake Charles, Louisiana 70609 (United States)
Publication Date:
OSTI Identifier:
22255170
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; ALUMINIUM; ANIONS; DENSITY FUNCTIONAL METHOD; ELECTRONS; MOLECULAR ORBITAL METHOD; PHOTOELECTRON SPECTROSCOPY; PULSES; SODIUM; SPECTRA