Structures and Stabilities of Small, Ligated AlnLn0/2- and AlnLn+2 Clusters (L = H, Cl) - A Theoretical Study (Articolo in rivista)

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Label
  • Structures and Stabilities of Small, Ligated AlnLn0/2- and AlnLn+2 Clusters (L = H, Cl) - A Theoretical Study (Articolo in rivista) (literal)
Anno
  • 2012-01-01T00:00:00+01:00 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
  • 10.1002/ejic.201200415 (literal)
Alternative label
  • Marchal, Rémi; Manca, Gabriele; Kahlal, Samia; Carbonnière, Philippe; Pouchan, Claude; Halet, Jean-François; Saillard, Jean-Yves (2012)
    Structures and Stabilities of Small, Ligated AlnLn0/2- and AlnLn+2 Clusters (L = H, Cl) - A Theoretical Study
    in European journal of inorganic chemistry (Print); WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim (Germania)
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • Marchal, Rémi; Manca, Gabriele; Kahlal, Samia; Carbonnière, Philippe; Pouchan, Claude; Halet, Jean-François; Saillard, Jean-Yves (literal)
Pagina inizio
  • 4856 (literal)
Pagina fine
  • 4886 (literal)
Rivista
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroFascicolo
  • 30 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • Institut des Sciences Chimiques de Rennes UMR 6226 CNRS - Université de Rennes 1, Avenue de Général Leclerc, 35042 Rennes Cedex, France; Université Européenne de Bretagne, 5 Bd. Laënnec, 35000 Rennes, France; Istituto di Chimica dei Composti Organometalicci, ICCOM-CNR, Via Madonna Del Piano 10, 50019 Sesto Fiorentino, Florence, Italy; IPREM/ECP UMR 5254 CNRS - Université de Pau et des Pays de l'Adour, 2 Avenue du Président Angot, 64053 Pau Cedex 09, France (literal)
Titolo
  • Structures and Stabilities of Small, Ligated AlnLn0/2- and AlnLn+2 Clusters (L = H, Cl) - A Theoretical Study (literal)
Abstract
  • AlnLn0/2- (n = 4-7, 12), AlnLn+2 (n = 4-7), and Al4L8 clusters were investigated by using the global-search-algorithm-for-minima approach and DFT calculations at the BP86/LANL2DZ level of theory. These investigations indicate that most of the computed species are viable and diamagnetic, although there is no clear general relationship between their shapes and their electron counts. Al4H8 and Al4Cl8 appear to be the most stable compounds in the investigated series. (literal)
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