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Carbon-13 n.m.r. and CNDO/S study of 1,3-indandione and heterocyclic analogues

✍ Scribed by Vinicio Galasso; Giorgio Pellizer; Henri Le Bail; Giuseppe C. Pappalardo

Publisher
John Wiley and Sons
Year
1976
Tongue
English
Weight
344 KB
Volume
8
Category
Article
ISSN
0749-1581

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✦ Synopsis

Abstract

^13^C n.m.r. spectra are reported for 1,3‐indandione, phthalic anhydride, thiophthalic anhydride, and phthalimide in chloroform‐d solution. The ^13^C chemical shifts have also been calculated by means of Pople's perturbation theory using CNDO/S wave functions; the agreement between theoretical and experimental values is improved when an empirical charge‐dependent term is added to the calculated diamagnetic and paramagneitc contributions.

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