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

Yan Xu, Ji Qing Xu*, Cun Xiao Guo, Guo Yu Yang, Ren Zhang Wang, Hao Ran Sun

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

3 Citations (Scopus)

Abstract

The novel molybdovanadophosphate, [NH4]4H[PMo8V4IVV 2VO42] · 24H2O was synthesized and charaterized by elementary analysis, EPR, IR, UV spectra and X-ray diffraction. The parameters of crystal structure of the compound are tetragonal, space group P4/mnc, a= b=1. 259 2(2) nm, c= 1. 756 5(4) nm, V = 2. 784 8(8) nm3, Z = 2, Dc = 2. 721 g/cm3, F(000) = 2 220, μ= 28. 64 cm-1 and R=0. 077 8. The heteropolyanion has a novel bicapped pseudo-Keggin structure, in which not only the eight metal atom positions are randomly distributed by four vanadium and four molybdium atoms, but also the central PO4 tetrahedra and whole cluster anion are disordered. The electron structure of the cluster anion was discussed by using EHMO method.

Original languageEnglish
Pages (from-to)18
Number of pages1
JournalKao Teng Hsueh Hsiao Hua Heush Hsueh Pao/ Chemical Journal of Chinese Universities
Volume20
Issue number1
Publication statusPublished - 1999
Externally publishedYes

Keywords

  • Bicapped pseudo-Keggin structure
  • Crystal structure
  • Electron structure
  • Hydrothermal synthesis
  • Molybdovanadophosphate

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Xu, Y., Xu, J. Q., Guo, C. X., Yang, G. Y., Wang, R. Z., & Sun, H. R. (1999). Hydrothermal Synthesis, Structure, Properties and Quantum Chemistry Calculation of a Novel Bicapped Pseudo-Keggin Polymolybdovanadophosphate. Kao Teng Hsueh Hsiao Hua Heush Hsueh Pao/ Chemical Journal of Chinese Universities, 20(1), 18.