| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 9530311 | Geochimica et Cosmochimica Acta | 2005 | 9 Pages |
Abstract
We have also calculated 29Si-NMR shieldings and Raman frequencies for Si(OH)4, Si2O7H6 and some other oligomeric silicates. We correctly reproduce the separation of monomer and dimer peaks observed in the 29Si-NMR spectrra at ambient T and P. The Raman spectral data are somewhat ambiguous, and the new peaks seen at high T and P could arise either from the dimer or from a 3-ring trimer, which is calculated to be highly stabilized entropically at high T.
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Authors
J.A. Tossell,