X ^sub α^ discrete variational analysis and ^sup 1^H nuclear magnetic resonance study of the dissociation of water molecules on the surface of TiO and TiO2 oxides

The disordered state of hydrogen in titanium oxyhydrate has been investigated by 1H nuclear magnetic resonance. The protonation of TiO and TiO2 oxides has been simulated by the X α discrete variational method. It is established that an increase in the number of protons decreases the stability of coo...

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Bibliographic Details
Published in:Bulletin of the Russian Academy of Sciences. Physics 2007-05, Vol.71 (5), p.735
Main Authors: Yuryeva, E I, Zhuravlev, N A, Pletnev, R N
Format: Article
Language:English
Subjects:
Atomic properties
Chemical bonds
Hydrogen bonds
NMR
Nuclear magnetic resonance
Protonation
Titanium dioxide
Titanium oxides
Water chemistry
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Summary:The disordered state of hydrogen in titanium oxyhydrate has been investigated by 1H nuclear magnetic resonance. The protonation of TiO and TiO2 oxides has been simulated by the X α discrete variational method. It is established that an increase in the number of protons decreases the stability of coordination polyhedra of titanium atoms, while an increase in the O-H bond length enhances the ability of water molecules to dissociate.
ISSN:1062-8738
1934-9432
DOI:10.3103/S1062873807050401