The interaction of caffeine and theophylline with sodium benzoate and sodium salicylate has been studied in deuterium oxide at 35°C by measnring the aromatic salt-induced changes in the chemical shifts of the N-methyl protons. Taking into account the self-association of the N-methylxanthines, on the
✦ LIBER ✦
Estimation of Dimerisation Constants from Complexatin-Induced Displacements of 1H-NMR Chemical Shifts: Dimerisation of Caffeine
✍ Scribed by Ian Horman; Bernard Dreux
- Publisher
- John Wiley and Sons
- Year
- 1984
- Tongue
- German
- Weight
- 553 KB
- Volume
- 67
- Category
- Article
- ISSN
- 0018-019X
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## Abstract The aromatic ^1^H NMR shifts of __ortho__‐disubstituted benzenes were used to derive 285 pair‐induced chemical shifts (pairwise corrections) for vicinal pairs of the substituent set (F, Cl, Br, I, NH~2~, NHCOMe, NO~2~, OH, OMe, Me, CHO, COMe, CN, Ph). Using these parameters and a simple