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High-resolution 19F MAS NMR spectroscopy: Structural disorder and unusual J couplings in a fluorinated hydroxy-silicate

Griffin, J.M.; Yates, Jonathan R.; Berry, Andrew; Wimperis, Stephen; Ashbrook, Sharon E.

Description

High-resolution 19F magic angle spinning (MAS) NMR spectroscopy is used to study disorder and bonding in a crystalline solid. 19F MAS NMR reveals four distinct F sites in a 50% fluorine-substituted deuterated hydrous magnesium silicate (clinohumite, 4Mg2SiO4· Mg(OD1-xFx)2 with x = 0.5), indicating extensive structural disorder. The four 19F peaks can be assigned using density functional theory (DFT) calculations of NMR parameters for a number of structural models with a range of possible local...[Show more]

CollectionsANU Research Publications
Date published: 2010
Type: Journal article
URI: http://hdl.handle.net/1885/79611
Source: Journal of the American Chemical Society
DOI: 10.1021/ja105347q

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