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13C NMR: Substituent effects on one-bond 15N13C coupling constants in anilines and anilinium ions

✍ Scribed by T. Axenrod; M. J. Wieder; Tun Khin; G. A. Webb; H. J. C. Yeh; S. Bulusu

Publisher
John Wiley and Sons
Year
1979
Tongue
English
Weight
408 KB
Volume
12
Category
Article
ISSN
0749-1581

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✦ Synopsis

Abstract

^1^J(^15^N^13^C) values obtained from FT ^13^C NMR spectra were measured for a number of ^15^N‐enriched aniline derivatives and are found to exhibit varying degrees of dependence on the nature of the ring substituent. Theoretical calculations of ^1^J(^15^N^13^C) values for representative members of the systems examined were made using INDO parameters and a ‘sum‐over‐states’ perturbation approach. The calculated coupling constants are generally in fair agreement with experimental values when the integral products S~N~^2^(o)S~C~^2^(o) and (r^−3^)~N~(r^−3^)~C~ have values of 34.437 au^−6^ and 2.770 au^−6^, respectively.

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