ISSN:
0749-1581
Keywords:
NMR
;
13C NMR
;
15N NMR
;
1,2,4-triazines
;
Chemistry
;
Analytical Chemistry and Spectroscopy
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
13C and 15N NMR spectra of eight substituted 1,2,4-triazines were measured and assigned. The assignments of the 13C NMR spectra were based on the substituent chemical shifts and nJ(C,H) coupling constants. 15N NMR chemical shifts generally showing well separated ranges were assigned by the proton coupled 15N NMR spectra. 15N NMR chemical shifts of N-4 in 3- and 5-methoxy or -thiomethyl-substituted 1,2,4-triazines were found to be related significantly (confidence level 〉99%) with the π-charge at N-4 calculated by a semi-empirical molecular orbital (AM1) procedure. For the 15N NMR chemical shifts of N-1 and N-2, no reliable correlations with the molecular electronic properties such as AM1 π-charges and ionization potentials ( - EHOMO) were found.
Additional Material:
1 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/mrc.1260330813
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