Comparative Study of the Structural, Electronic, and Magnetic Properties of the Layered Ternary Vanadium Oxides CaV4O9, Cs2V4O9, and [H2N(CH2)4NH2]V4O 9

Yiping Zhang, Christopher J. Warren, Robert C. Haushalter, Abraham Clearfield, Dong Kyun Seo, Myung Hwan Whangbo

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We report the preparation, single-crystal X-ray structure determination, and magnetic susceptibility measurements of a new ternary vanadium oxide, [H2N(CH2)4NH2]V4O 9. This compound has isolated V4O92- layers made up of edge-sharing VO5 square pyramids. The V4O92- layers of [H2N(CH2)4NH2]V4O 9 ([H2N(CH2)4NH2] = piperidinium) differ from those of two other ternary vanadium oxides, CaV4O9 and A2V4O9 (A = Rb, Cs), in the way the VO5 square pyramids are shared, and the magnetic susceptibilities of the three oxides are widely different in their maximum susceptibility values and the temperatures where these values occur. To explain these observations, the electronic structures of the three oxides were analyzed based on molecular orbital calculations.

Original languageEnglish
Pages (from-to)1059-1064
Number of pages6
JournalChemistry of Materials
Issue number4
Publication statusPublished - Apr 1 1998


ASJC Scopus subject areas

  • Chemistry(all)
  • Chemical Engineering(all)
  • Materials Chemistry

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