Reexamination of Protonic Locations in Hydrogen Molybdenum Bronze, HxMoO3

作者: Kazuo Eda , Noriyuki Sotani , Masakazu Kunitomo , Makoto Kaburagi

DOI: 10.1006/JSSC.1998.7976

关键词: Cluster (physics)Crystal structureNMR spectra databaseBronzePhysical chemistrySpectral lineInorganic chemistryMolybdenum bronzePhase (matter)HydrogenChemistry

摘要: We reexamined the protonic locations in phase of hydrogen molybdenum bronze (H0.26MoO3) with lowest content by lineshape analysis using a computer simulation, which we dealt systems containing more than three protons. NMR spectra were simulated for various models variety arrangements and linear combinations tested whether they could reproduce observed spectra. Spectra six-proton cluster models, suggested H0.33MoO3by Adamset al.(Acta Crystallogr. Sect. B49, 958 (1993)), also simulated. Then, it was that 3- to 5-proton clusters existed bronze.

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