Flux Growth of Vanadyl Pyrophosphate, (VO)2P2O7, and Spin Dimer Analysis of the Spin Exchange Interactions of (VO)2P2O7 and Vanadyl Hy

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• 作者：Hyun-Joo Koo ; Myung-Hwan Whangbo ; Paul D. VerNooy ; Charlie C. Torardi ; and William J. Marshall
• 刊名：Inorganic Chemistry
• 出版年：2002
• 出版时间：September 9, 2002
• 年：2002
• 卷：41
• 期：18
• 页码：4664 - 4672
• 全文大小：148K
• 年卷期：v.41,no.18(September 9, 2002)
• ISSN：1520-510X

文摘

Large transparent blue crystals of vanadyl pyrophosphate, (VO)₂P₂O₇, were grown from a phosphorus pentoxideflux, and the single-crystal X-ray structure of (VO)₂P₂O₇ was determined with high precision. On the basis of spindimer analysis, we examined the spin exchange interactions of (VO)₂P₂O₇ and its precursor VO(HPO₄)·0.5H₂O.Our analysis of (VO)₂P₂O₇ using two high-precision crystal structures shows unambiguously that the V3-V4 chainhas a larger spin gap than does the V1-V2 chain and that the super-superexchange (V-O···O-V) interaction isstronger than the superexchange (V-O-V) interaction in the V3-V4 chain while the opposite is true in the V1-V2chain. Our analysis of VO(HPO₄)·0.5H₂O reveals that the superexchange interaction must dominate over thesuper-superexchange interaction, in disagreement with the conclusion from a powder neutron scattering study ofVO(DPO₄)·0.5D₂O.