A dodecanuclear Zn cluster sandwiched by polyoxometalate ligands.

نویسندگان

  • Guibo Zhu
  • Yurii V Geletii
  • Chongchao Zhao
  • Djamaladdin G Musaev
  • Jie Song
  • Craig L Hill
چکیده

A dodecazinc silicotungstate K(20)Na(2)[Zn(6)(OH)(7)(H(2)O)(Si(2)W(18)O(66))](2)·34H(2)O (1) has been synthesized and characterized by X-ray crystallography, elemental analysis, infrared, UV-vis spectroscopy, cyclic voltammetry, acid-base titration, and DFT calculations. The twelve zinc atoms between the two [Si(2)W(18)O(66)](16-) frameworks make this complex more stable hydrolytically than the heteropolytungstate ligands, [Si(2)W(18)O(66)](16-), themselves. The structurally unique central Zn(12) core is formed by the fusion of two [Zn(6)(OH)(7)(H(2)O)](5+) units through two edge-sharing Zn6 atoms. DFT B3LYP calculations give HOMO-LUMO and (HOMO - 1)-LUMO energy gaps of ∼3.65 and 3.91 eV, respectively, as compared to the band gap in ZnO of 3.35 eV.

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عنوان ژورنال:
  • Dalton transactions

دوره 41 33  شماره 

صفحات  -

تاریخ انتشار 2012