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Transmission of substituent effects—a CNDO approach. The influence of the internal electric field on the 29Si NMR substituent chemical shifts of phenyltrimethylsilanes and phenoxytrimethylsilanes

✍ Scribed by Renate Wolff; Reiner Radeglia; Robert Ponec

Publisher
John Wiley and Sons
Year
1982
Tongue
English
Weight
190 KB
Volume
20
Category
Article
ISSN
0749-1581

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✦ Synopsis

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 distribution around the resonating nucleus. While the local part is taken into account by the paramagnetic screening constant, the influence of the non‐local part can be described by the induced internal electric field and additional higher order terms.

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