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  • Electronic Resource  (2)
  • 1995-1999  (2)
  • Theoretical, Physical and Computational Chemistry  (1)
  • bromide  (1)
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  • Electronic Resource  (2)
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  • 1995-1999  (2)
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  • 1
    Electronic Resource
    Electronic Resource
    Springer
    Journal of cluster science 9 (1998), S. 63-91 
    ISSN: 1572-8862
    Keywords: Hexanuclear zirconium cluster ; pentanuclear zirconium cluster ; cluster hydrogen atom ; bromide ; chloride ; arsine ; amine
    Source: Springer Online Journal Archives 1860-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: Abstract Reduction of ZrBr4 with HSnBu3 yielded a blue solid. When this blue solid was treated with PMe3, a hexanuelear cluster [Zr6Br14H4( PMe3)4] (2) was isolated. Reaction of the blue solid with [PPh4]Br in CH2Cl2 resulted in the formation of a paramagnetic and unstable cluster anion, [Zr6Br18H5]2− (3′), which disproportionated to form a new cluster anion, [Zr6Br18H5]3− (4′) and some Zr(IV) species. Compounds containing 4′ can also be obtained from reaction of the blue solid with Br− in MeCN. Reduction of ZrCl4 with HsnBu3 gave a red–brown solid, and [Zr6Cl14H4(AsMe3)4] (9) and [Zr5Cl12H4(AsMe3)5](8) were obtained by reaction of the red–brown solid with AsMe3. No cluster compounds containing amine ligands were obtained in the reaction of the red–brown solid with amines; only compounds containing the [Zr6Cl18 H5]3− anion and ammonium cations were isolated. Altogether ten products were characterized by single crystal X-ray diffraction and where possible, by 1H NMR studies.
    Type of Medium: Electronic Resource
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  • 2
    ISSN: 0020-7608
    Keywords: Chemistry ; Theoretical, Physical and Computational Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Ab initio configuration interaction calculations have been performed for the title compounds to study the nature of the metal-metal interaction. By analyzing the energy diagrams and the CI wave functions, it can be shown that the metal-metal interaction in such compounds has a dual nature, namely, formation of some direct metal-metal bonds and antiferromagnetic coupling of remaining electron pairs. Experimental observations of the magnetic behavior of the compounds can be explained satisfactorily by the calculated energy diagrams which include low-lying magnetic excited states as the result of the weak exchange coupling. © 1996 John Wiley & Sons, Inc.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
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