The nine resonances in the hitherto unassigned %i magic-angle-spinning NMR spectrum of tricalcium silicate (C$) are tentatively assigned using a 6 versus dsro correlation between isotropic %i chemical shifts ( ) and mean Si-0 bond lengths (ds,,) observed for the a;-, B\_, and y-dicalcium silicate (C
Correlation between individual SiO bond lengths and the principal values of the 29Si chemical shift tensor in solid silicates
✍ Scribed by A.-R. Grimmer
- Publisher
- Elsevier Science
- Year
- 1985
- Tongue
- English
- Weight
- 416 KB
- Volume
- 119
- Category
- Article
- ISSN
- 0009-2614
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✦ Synopsis
%I sluelding lensor data for sohd silrwres are compared =ilh structural data of the correspondmg SIO, tewahedra. demonstrating a hnear relallonship between mdlvldual SI-0 bond lengths and Ihe "bond dmxrlon related" shieldmg along the directions of the rour Si-0 bonds. This result is interpreted in renns or Ihe kac~ronal s characw_r of the salicon and oxygen hybrid orbit& involved in the 5-O bonds.
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Using known N3IR and structural data of solid silicates the linear correlation % = 1.187 X lo4 d(Si-0) -2014 between the isotropic z9Si NMR chemical shifts B (ppm) and the "isotropic" mean bond lengths d(Si-0) (nm) has been established. The results of semi-empirical calculations are in good agreemen