作者: Kazuo Eda , Noriyuki Sotani , Masakazu Kunitomo , Makoto Kaburagi
关键词: Cluster (physics) 、 Crystal structure 、 NMR spectra database 、 Bronze 、 Physical chemistry 、 Spectral line 、 Inorganic chemistry 、 Molybdenum bronze 、 Phase (matter) 、 Hydrogen 、 Chemistry
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.