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  • 36.40+d  (1)
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    Electronic Resource
    Electronic Resource
    Molecular orbital calculations on transition metal clusters (1989)
    Springer
    The European physical journal 12 (1989), S. 391-394 
    Details
    ISSN: 1434-6079
    Keywords: 31.20Pv ; 36.40+d
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract Transition metal clusters have been subject of experimental and theoretical interest due to their catalytic activity, as well as their unusual physical properties. Semi-empirical extended Hückel molecular orbital calculations are presented for a series of small metal clusters with nuclearity ranging from 3 to 6. Naked and carbonylated clusters of Fe, Ru, and Os are studied. The charge transfer between ligands shell and metal core is found to be a function of nuclearity, CO coordination and the chemical species forming the bare cluster. The observed magnetic properties of these systems are discussed in terms of their electronic structure and CO-metal charge transfer.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01426979
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