Solid-state {sup 17}O magic-angle and dynamic-angle spinning NMR study of the SiO{sub 2} polymorph coesite

Journal Article · Thu Aug 10 04:00:00 EDT 1995 · Journal of Physical Chemistry

DOI:https://doi.org/10.1021/j100032a045· OSTI ID:111204

Grandinetti, P J ^[1]; Baltisberger, J H ^[2]; Farnan, I; Stebbins, J F ^[3]; Werner, U; Pines, A ^[4]

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1. Ohio State Univ., Columbus, OH (United States)
2. Berea College, KY (United States)
3. Stanford Univ., CA (United States)
4. Lawrence Berkeley Lab., CA (United States)

Five distinctly resolved {sup 17}O solid-state NMR resonances in room temperature coesite, an SiO{sub 2} polymorph, have been observed and assigned using dynamic angle spinning (DAS) at 11.7 T along with magic angle spinning (MAS) spectra at 9.4 and 11.7 T. The {sup 17}O quadrupolar parameters for each of the five oxygen environments in coesite are correlated with the Si-O-Si bridging bond angles determined by diffraction experiments. The sign of e{sup 2}-qQ/h along with the orientation of the electric field gradient for oxygen in the Si-O-Si linkage were determined from a Townes-Dailey analysis of the data. 41 refs., 7 figs., 5 tabs.

• Sponsoring Organization: USDOE
• DOE Contract Number: AC03-76SF00098
• OSTI ID: 111204
• Journal Information: Journal of Physical Chemistry, Journal Name: Journal of Physical Chemistry Journal Issue: 32 Vol. 99; ISSN JPCHAX; ISSN 0022-3654
• Country of Publication: United States
• Language: English

Related Subjects

40 CHEMISTRY
66 PHYSICS
BOND ANGLE
CHEMICAL PREPARATION
CHEMICAL SHIFT
ELECTRONIC STRUCTURE
NMR SPECTRA
OXIDE MINERALS
QUADRUPOLAR CONFIGURATIONS
SILICA
SILICON OXIDES
THEORETICAL DATA