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An ab initio study of the effect on the 29Si NMR chemical shift of dihydroxysilane of geometry changes expected on approach to a surface

✍ Scribed by N.J. Clayden; E.A. Moore; W.L. Selina; D.R. Roberts

Publisher
Elsevier Science
Year
1996
Tongue
English
Weight
378 KB
Volume
248
Category
Article
ISSN
0009-2614

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✦ Synopsis

29Si nuclear magnetic resonance spectroscopy has shown that when dialkoxysilanes are milled with magnesium chloride, a component of the Ziegler-Natta catalyst, the 295i nucleus becomes more deshielded. Calculations on the change in 29Si NMR shielding when the Si-O bond distances and O-Si-O bond angle vary are reported for the model compound silanediol. The results indicate that changes in geometry do not produce a sufficiently large change in 295i NMR shielding and the conclusion is drawn that the deshielding is due to interaction of the dialkoxysilanes with the magnesium chloride surface.

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✍ Renate Wolff; Reiner Radeglia; Robert Ponec 📂 Article 📅 1982 🏛 John Wiley and Sons 🌐 English ⚖ 190 KB

## Abstract The ^29^Si NMR subtituent chemical shifts of 14 __meta__‐and __para__‐substituted derivatives of phenyltrimethyl‐and phenoxytrimethyl‐silanes have been interpreted in a uniform manner. They are shown to depend not only on the local but also on the non‐local parts of the charge distribut