ISSN:
0749-1581
Keywords:
Principal component analysis
;
Norbornyl derivatives
;
13C NMR chemical shifts
;
Chemistry
;
Analytical Chemistry and Spectroscopy
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
Principal component analysis was applied to the 13C NMR chemical shifts of the seven carbon atoms of the norbornyl framework for 75 molecules. Two two-dimensional principal component projections are shown to be sufficient to distinguish the main electronic and steric substituent effects contributing to these shifts. These effects allow a comparison of the (three-, four- and five-membered) ring and non-ring substituents and their influence on the shifts of carbon atoms of the norbornyl framework. Four classes of molecules, each with characteristic chemical behaviour, are identified. Exo-endo class discrimination and exo-endo patterns of isomer pairs are emphasized, especially with regard to cyclic substituents on norbornyl systems.
Additional Material:
5 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/mrc.1260270314
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