ISSN:
0030-4921
Keywords:
Chemistry
;
Analytical Chemistry and Spectroscopy
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
The carbon-13 NMR spectra of coumarin, 6-, 7-, 8-methoxycoumarin, and 5,7-, 7,8-, 5,8- and 6,7-dimethoxycoumarin have been measured and assigned. It is shown that substituent induced chemical shifts S(δ) in the mono- and disubstituted systems correlate well with the HMO atom-atom polarisibilities πij of the parent compound: Si(δi) = 80.13 πij with a standard deviation of 1.42 ppm and a correlation factor of 0.994. Correlations between δ(13C) values and charge densities calculated by various semi-empirical methods are less successful.
Additional Material:
6 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/mrc.1270070710
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