## Abstract ^13^C n.m.r. spectra are reported for 1,3βindandione, phthalic anhydride, thiophthalic anhydride, and phthalimide in chloroformβ__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
Carbon-13 n.m.r. and CNDO/S study of 1,2-indandione and heterocyclic analogues
β Scribed by Vinicio Galasso; Giorgio Pellizer; Giuseppe C. Pappalardo
- Publisher
- John Wiley and Sons
- Year
- 1977
- Tongue
- English
- Weight
- 300 KB
- Volume
- 9
- Category
- Article
- ISSN
- 0749-1581
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β¦ Synopsis
Abstract
^13^C n.m.r. spectra are reported for 1,2βindandione, coumarandione and thionaphthenequinone in CDCl~3~ solution and for isatin in dimethyl sulphoxide solution. The chemical shifts are assigned and discussed in connection with the influence of the heteroatom on the dicarbonyl group and the aromatic ring. The ^13^C shieldings have also been calculated by means of Pople's perturbation theory using CNDO/S wave functions.
π SIMILAR VOLUMES
## Abstract ^13^C NMR chemical shifts previously reported for 1,2βindandione and thionaphthenequinone have been found to be erroneous; the correct results have now been established.
## Abstract Spectra are reported for all seven methylquinolines, nine dimethylquinolines, six methylisoquinolines and one dimethylisoquinoline. Substituent effects for the Ξ±, __ortho__, __meta__, __para__, vinylogous __para__ and __peri__ positions are reported for the monomethylcompounds. Additivi
## Abstract The ^13^C n.m.r. spectra of 36 naturally occurring xanthones are reported and all chemical shifts assigned. The shifts in substituted xanthones can be predicted from substituent effects evaluated for simple derivatives. The agreement between calculated and observed shifts decreases as t
## Abstract The influence of incorporating an group, an oxygen atom and the fragment in a saturated 7βmembered ring system on carbonβ13 n.m.r. chemical shifts is examined, and also, the influence of the dioxolane ring moiety on the ^13^C chemical shifts in these ring systems. Substituent effects
The 13C chemical shifts for 2,7-, 1,sand 1,6-diazabiphenylenes are reported, together with some coupling constants and the I3C chemical shifts of a benzothiophene analogue of biphenylene. The results can be explained by the existence of a paramagnetic ring current in the four-membered ring of the ni