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Crystal growth and characterisation of a unique trinuclear VIV/VV complex

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Author(s): Apinpus Rujiwatra

Journal: Maejo International Journal of Science and Technology
ISSN 1905-7873

Volume: 5;
Issue: 01;
Start page: 83;
Date: 2011;
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Keywords: vanadium complex | trinuclear complex | crystal structure | single-crystal X-ray diffraction

ABSTRACT
Single crystals of a mixed-valence trinuclear cluster of formula [V2VVIVO5(C12H8N2)3(SO4)2(H2O)3].6H2O were grown by layer diffusion technique and characterised by single-crystal X-ray diffraction; P21/c, a = 20.5448(11) Å, b = 11.7647(9) Å, c = 18.1871(9) Å,  = 92.64(0), V = 4391.22 (93) Å3, R = 0.0941 and Rw = 0.1345. A distinct characteristic of the structure is the existence of the rare linear mono--oxo [V2VVIVO5]4+ building units and the presence of a large number of hydrogen bonds and - interactions. The study on the mixed valence state of vanadium by valence bond sum calculations, manganometric titration and cyclic voltammetry, and the presence of - interactions by calculation of the harmonic oscillator model of aromaticity indices are presented. The thermogravimetric and differential scanning calorimetric analysis is also reported. The results of UV-Vis spectroscopic study and band gap energy calculation are included.
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