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

Markgraf J. Hodge | Zendy; Hong Lu | Zendy; Richardson David P. | Zendy; Schofield Mark H. | Zendy

Premium

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

Author(s) -

Markgraf J. Hodge,

Hong Lu,

Richardson David P.,

Schofield Mark H.

Publication year - 2007

Publication title -

magnetic resonance in chemistry

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.483

H-Index - 72

eISSN - 1097-458X

pISSN - 0749-1581

DOI - 10.1002/mrc.2082

Subject(s) - chemistry , substituent , chemical shift , ring (chemistry) , computational chemistry , carbon 13 nmr , stereochemistry , organic chemistry

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.

This content is not available in your region!

Continue researching here.

Having issues? You can contact us here

Accelerating Research