Synthesis, Structure, and Density Functional Theory Analysis of a Scandium Dinitrogen Complex, [(CMeH)Sc](μ-η:η-N).

Investigation of the bis(tetramethylcyclopentadienyl) metallocene chemistry of scandium has revealed that the method involving reduction of trivalent salts with alkali metals used with lanthanides can also be applied to scandium to make a dinitrogen complex of the first member of the transition meta...

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Publicado en:Journal of the American Chemical Society Vol. 132; no. 32; pp. 11151 - 11159
Autores principales: Demir, Selvan, Lorenz, Sara E., Ming Fang, Furche, Filipp, Meyer, Gerd, Ziller, Joseph W., Evans, William J.
Formato: Artículo
Publicado: American Chemical Society 8/18/2010
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Acceso en línea:Ver este registro en EBSCOhost
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      dt: 8/18/2010
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        atl: Synthesis, Structure, and Density Functional Theory Analysis of a Scandium Dinitrogen Complex, [(CMeH)Sc](μ-η:η-N).
      aug:
        au:
          Demir, Selvan
          Lorenz, Sara E.
          Ming Fang
          Furche, Filipp
          Meyer, Gerd
          Ziller, Joseph W.
          Evans, William J.
        affil:
          Department of Chemistry, University of Ca4fornia, Irvine, California 9269 7-2025
          Institut für Anorganische Chemie, Universität zu Köln, Greinstrasse 6, D-50939 Köln, Germany
      su:
        Rare earth metal metallurgy
        Scandium
        Metallocenes
        Carbynes
        Tetraphenylborates
        Anions
      sug:
        subj:
          Rare earth metal metallurgy
          Scandium
          Metallocenes
          Carbynes
          Tetraphenylborates
          Anions
      ab: Investigation of the bis(tetramethylcyclopentadienyl) metallocene chemistry of scandium has revealed that the method involving reduction of trivalent salts with alkali metals used with lanthanides can also be applied to scandium to make a dinitrogen complex of the first member of the transition metal series. ScCl reacts with 2 equiv of KCMeH to form (CMe4H)ScCl(THF), 1, which reacts with allylmagnesium chloride to make (CMeH)2Sc(η-CH), 2. Complex 2 reacts with [HNEt][BPh] to yield [(CMeH)Sc][(μ-Ph)BPh], 3, which has just one primary Sc-C(phenyl) contact connecting the tetraphenylborate anion and the metallocene cation. Treatment of 3 with KC in THF under N generates [(CMeH)Sc](μ-η:η-N), which has a coplanar arrangement of scandium and nitrogen atoms within a square planar array of tetramethylcyclopentadienyl rings. Density functional calculations explain the bonding that results in the 1.239(3) Å N-N bond distance in the (N-N) moiety.
      pubtype: Academic Journal
      doctype: Article
      src: R
    language: English
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