ISSN:
0749-1581
Keywords:
1H NMR chemical shift
;
Self-association
;
Stacking
;
Methylation
;
Pyrimidine
;
Chemistry
;
Analytical Chemistry and Spectroscopy
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
The self-association of pyrimidine and its methylated derivatives was studied by measuring the concentration-dependent changes in proton chemical shifts in deuterium oxide at 35°C. The data were analysed by a dimer model with two parameters. The equilibrium constants give an increasing tendency for self-association within the series pyrimidine (0.091 ° 0.006 l mol-1) 〈 5-methylpyrimidine (0.165 ° 0.006 l mol-1) ≈ 4-methylpyrimidine (0.183 ± 0.005 l mol-1) 〈 4,6-dimethylpyrimidine (0.410 ± 0.011 l mol-1), and the values of the dimer shifts suggest a stacking-like arrangement for the associated molecules.
Additional Material:
1 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/mrc.1260280310
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