Abstract

A new Zr-substituted sandwich-type polyoxometalate, H8K3[Zr3K2(μ3-O)2(μ2-OH)(H2O)2(A-α-PW9O34)2]·2Cl−·7H2O (1), has been made under hydrothermal conditions. 1 was characterized by IR spectrum, thermogravimetric analysis, powder X-ray diffraction and single-crystal X-ray diffraction, respectively. Crystal data for 1: tetragonal space group P42212, a = 24.0096(3), b = 24.0096(3), c = 14.7416(3) A, V = 8498.0(2) A3 and Z = 4. Single crystal X-ray structure analysis reveals that 1 exhibits a three-dimensional framework structure based on Zr3K2-substituted sandwich-type polyanions [Zr3K2(μ3-O)2(μ2-OH)(H2O)2(PW9O34)2]9− linked by K–O chains. UV–Vis spectrum indicates that 1 is a wide-gap semiconductor. In addition, the SHG of 1 was also investigated.

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