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Issue 5, 2018
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A(VO2F)(SeO3) (A = Sr, Ba) and Ba(MOF2)(TeO4) (M = Mo, W): first examples of alkali-earth selenites/tellurites with a fluorinated d0-TM octahedron

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Abstract

Four new compounds of A(VO2F)(SeO3) (A = Sr 1, Ba 2) and Ba(MOF2)(TeO4) (M = Mo 3, W 4) oxyfluorides have been synthesized successfully by hydrothermal reactions. They represent the first examples of alkali-earth selenites or tellurites with a fluorinated d0-TM octahedron. Their crystal structures were determined by single-crystal X-ray diffraction. They exhibit two different types of structures. Compounds 1 and 2 are isostructural and crystallize in the orthorhombic crystal system with the space group of Pbca (no. 61). Their structures feature a 3D network composed of 0D [V2O4F2(SeO3)2]4− dimers which are further bridged by Sr2+ or Ba2+ cations. Isostructural compounds 3 and 4 are crystallized in the monoclinic crystal system with the space group of P21/c (no. 14). Their structures can be described as 2D [(MOF2)(TeO4)]2− (M = Mo, W) anionic layers separated by Ba2+ cations. Out-of-center distortion studies show that the magnitude of the distortion of the (MOxF6−x) octahedron is comparable to that of MO6 (M = d0 transition metal). Infrared spectroscopy, thermal stability, optical property studies and theoretical calculations based on density functional theory methods were also performed.

Graphical abstract: A(VO2F)(SeO3) (A = Sr, Ba) and Ba(MOF2)(TeO4) (M = Mo, W): first examples of alkali-earth selenites/tellurites with a fluorinated d0-TM octahedron

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Publication details

The article was received on 25 Nov 2017, accepted on 16 Dec 2017 and first published on 18 Dec 2017


Article type: Paper
DOI: 10.1039/C7DT04442A
Citation: Dalton Trans., 2018,47, 1513-1519
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    A(VO2F)(SeO3) (A = Sr, Ba) and Ba(MOF2)(TeO4) (M = Mo, W): first examples of alkali-earth selenites/tellurites with a fluorinated d0-TM octahedron

    M. Liang, Y. Ma, C. Hu, F. Kong and J. Mao, Dalton Trans., 2018, 47, 1513
    DOI: 10.1039/C7DT04442A

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