Theoretical study on metal NMR chemical shifts. Gallium compounds, GaCl4-nBrn- (n = 0-4)

Substituent effects on 15N and 13C NMR c

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

✍ J. Hodge Markgraf; Lu Hong; David P. Richardson; Mark H. Schofield 📂 Article 📅 2007 🏛 John Wiley and Sons 🌐 English ⚖ 110 KB

## 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 interp