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Multiple oxygen sites in synthetic phyllosilicates with expandable layers: 17O solid-state NMR study
-
Sung Keun Lee
and
Charles A. Weiss Jr.
Published/Copyright:
April 1, 2015
Abstract
Recent advances in high-resolution solid-state NMR enabled us to resolve the previously unknown details of atomic configurations around quadrupolar nuclides such as O (17O, spin 5/2) and aluminum (27Al, spin 5/2) in phyllosilicates. Here, we report the 17O 1D and 2D NMR (MAS and MQMAS) spectra of synthetic kaolinite-montmorillonite mixtures. Various O sites in the mixtures revealed from O-17 NMR include apical O (VISi-O-2IVAl), multiple basal O atoms (VISi-O-VISi and two VISi-O-VIAl sites) in tetrahedral layers, and hydroxyl group with distinct ranges for NMR parameters (quadrupolar coupling constant, Cq and isotropic chemical shift, 17O δiso). In particular, the structurally relevant NMR parameters (17O δiso, C-, and asymmetry parameter, η) for two resolved IVSi-O-VIAl sites are about 52 ± 2 ppm, 2.6 ± 0.2 MHz, and 0.5 for IVSi-O-IVAl (I) and about 44.5 ± 2 ppm, and 3.1 ± 0.2 MHz, and 0.5 for IVSi-O-IVAl (II), respectively. These sites may stem from crystallographically distinct IVSi-O-IVAl sites of varying bond length and IVSi-O-VIAl bond angle or IVAl-O-2VIAl site in the montmorillonite.
Keywords : High-resolution solid-state NMR; phyllosilicates; oxygen sites; 3QMAS NMR; montmorillonite
Received: 2007-7-19
Accepted: 2008-1-28
Published Online: 2015-4-1
Published in Print: 2008-7-1
© 2015 by Walter de Gruyter Berlin/Boston
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Keywords for this article
High-resolution solid-state NMR;
phyllosilicates;
oxygen sites;
3QMAS NMR;
montmorillonite
Articles in the same Issue
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- The crystal chemistry of Li in gadolinite
- The effect of the hedenbergitic substitution on the compressibility of jadeite
- The structure of monohydrocalcite and the phase composition of the beachrock deposits of Lake Butler and Lake Fellmongery, South Australia
- First-principles calculation of the infrared spectrum of hematite
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