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Study of the self-association of methylated pyrimidines in aqueous solutions by 1H NMR chemical shifts

✍ Scribed by Ferenc Aradi

Publisher
John Wiley and Sons
Year
1990
Tongue
English
Weight
355 KB
Volume
28
Category
Article
ISSN
0749-1581

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✦ Synopsis

Abstract

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.

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