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Substituent effects on 15N and 13C NMR chemical shifts of 5-phenyl-1,3,4-oxathiazol-2-ones: a theoretical and spectroscopic study

✍ Scribed by J. Hodge Markgraf; Lu Hong; David P. Richardson; Mark H. Schofield

Publisher
John Wiley and Sons
Year
2007
Tongue
English
Weight
110 KB
Volume
45
Category
Article
ISSN
0749-1581

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✦ Synopsis

Abstract

The synthesis and assignment of ^15^N and ^13^C NMR signals of the 1,3,4‐oxathiazol‐2‐one ring in a series of para‐substituted 5‐phenyl derivatives are reported. DFT calculations of ^15^N and ^13^C chemical shifts correspond closely to observed values. Substituent effects are interpreted in terms of the Hammett correlation and calculated bond orders. Copyright © 2007 John Wiley & Sons, Ltd.

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