Reexamination of Protonic Locations in Hydrogen Molybdenum Bronze, HxMoO3

✍ Scribed by Kazuo Eda; Noriyuki Sotani; Masakazu Kunitomo; Makoto Kaburagi

• Publisher: Elsevier Science
• Year: 1998
• Tongue: English
• Weight: 316 KB
• Volume: 141
• Category: Article
• ISSN: 0022-4596
• DOI: 10.1006/jssc.1998.7976

✦ Synopsis

We reexamined the protonic locations in the phase of hydrogen molybdenum bronze (H 0.26 MoO 3 ) with the lowest hydrogen content by lineshape analysis using a computer simulation, in which we dealt with systems containing more than three protons. NMR spectra were simulated for various models with a variety of protonic arrangements and linear combinations of the models were tested for whether they could reproduce observed spectra. Spectra for the six-proton cluster models, which were suggested for H 0.33 MoO 3 by Adams et al. (Acta Crystallogr. Sect. B 49, 958 (1993)), were also simulated. Then, it was suggested that 3-to 5-proton clusters existed in the bronze.