Issue 33, 2012
From the journal:

Dalton Transactions

A dodecanuclear Zn cluster sandwiched by polyoxometalate ligands†

Guibo Zhu,a   Yurii V. Geletii,a   Chongchao Zhao,a   Djamaladdin G. Musaev,b   Jie Songa  and  Craig L. Hill*a  

* Corresponding authors

a Department of Chemistry, Emory University, Atlanta, GA 30322, USA
E-mail: chill@emory.edu
Fax: +1-404-727-6076
Tel: +1-404-727-6611

b Cherry L. Emerson Center for Scientific Computation, Emory University, Atlanta, GA 30322, USA

Abstract

A dodecazinc silicotungstate K20Na2[Zn6(OH)7(H2O)(Si2W18O66)]2·34H2O (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 [Si2W18O66]16− frameworks make this complex more stable hydrolytically than the heteropolytungstate ligands, [Si2W18O66]16−, themselves. The structurally unique central Zn12 core is formed by the fusion of two [Zn6(OH)7(H2O)]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.

Graphical abstract: A dodecanuclear Zn cluster sandwiched by polyoxometalate ligands

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Article information

DOI
https://doi.org/10.1039/C2DT30733B
Article type
Paper
Submitted
02 Apr 2012
Accepted
17 Jul 2012
First published
23 Jul 2012

Dalton Trans., 2012,41, 9908-9913

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A dodecanuclear Zn cluster sandwiched by polyoxometalate ligands

G. Zhu, Y. V. Geletii, C. Zhao, D. G. Musaev, J. Song and C. L. Hill, Dalton Trans., 2012, 41, 9908 DOI: 10.1039/C2DT30733B

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