Hydrothermal Synthesis,Structure,Properties and Quantum Chemistry Calculation of a Novel Bicapped Pseudo Keggin Polymolybdovanadophosphate

Abstract

Abstract: The novel molybdovanadophosphate, [NH₄]₄H[PMo₈V₄^ⅣV₂^ⅤO₄₂]·24H₂O was synthe sized and charaterized by element ary analysis, EPR, IR, UV spectra and Xray diffraction.The parameters of crystal structure of The compound are tetragonal, space group P4/mnc, a=b=1.2592(2)nm, c=1.7565(4)nm, V=2.7848(8)nm³, Z=2, Dc=2.721 g/cm³, F(000)=2220, μ=28.64cm^-1and R=0.0778.The heteropolyanion has a novel bicappedp seudo Keggin structure, in which notonly The eight metalatom positions are randomly dist ributed by four vanadium and four molybdium atoms, but also the central PO₄ tetrahedra andw hole cluster anion are disordered.The electron structure of the cluster anion was discussed byusing EHMO method.

Key words: Bicapped pseudo Kegg in structure, Molybdovanadophosphate, Hydrothermal synthesis, Crystal structure, Electron structure

CLC Number:

O612

TrendMD:

XU Yan, XU Ji-Qing, GUO Cun-Xiao, YANG Guo-Yu, WANG Ren-Zhang, SUN Hao-Ran . Hydrothermal Synthesis,Structure,Properties and Quantum Chemistry Calculation of a Novel Bicapped Pseudo Keggin Polymolybdovanadophosphate[J]. Chem. J. Chinese Universities, 1999, 20(1): 14.

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Hydrothermal Synthesis,Structure,Properties and Quantum Chemistry Calculation of a Novel Bicapped Pseudo Keggin Polymolybdovanadophosphate

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