ISSN:
0749-1581
Schlagwort(e):
13C NMR
;
Substituent chemical shift values
;
π bond orders
;
Methoxy-substituted aromatic compounds
;
Chemistry
;
Analytical Chemistry and Spectroscopy
Quelle:
Wiley InterScience Backfile Collection 1832-2000
Thema:
Chemie und Pharmazie
Notizen:
The substituent chemical shift values induced by the methoxy group at the two ortho positions of aromatic compounds which include naphthalenes, quinolines, indoles, coumarins, flavones and benzofurans were linearly correlated with π-bond orders, affording the equation Δδortho(13C) = -98.68Pπ + 50.38 (correlation coefficient = 0.929; root mean square error = 1.95 ppm) when 40 pairs of values are considered. Elimination of six points corresponding to ring-junction quaternary carbons improves the correlation coefficient to 0.961 (root mean square error = 1.4 ppm) for the equation Δδortho(13C) = -126.85Pπ + 69.66.
Zusätzliches Material:
1 Ill.
Materialart:
Digitale Medien
URL:
http://dx.doi.org/10.1002/mrc.1260280406
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