The usefulness of 'H bi-selective relaxation times ( 2 ' : ' ) and selective relaxation times (T,') for structure and conformation determination is emphasized. A pulse sequence has been devised which provides the apparent observed T : ' . The cross-relaxations (q,) or Fi, values are derived from the
Conformational features of imipramine hydrochloride in aqueous solution as detected by 1H NMR relaxation analysis
✍ Scribed by Elena Gaggelli; Nadia Marchettini; Gianni Valensin
- Publisher
- John Wiley and Sons
- Year
- 1991
- Tongue
- English
- Weight
- 312 KB
- Volume
- 29
- Category
- Article
- ISSN
- 0749-1581
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✦ Synopsis
Abstract
Proton NMR measurements were performed and ^1^H^1^H dipolar interaction energies were measured to delineate the conformation of imipramine in solution. Self‐association of imipramine into dimers was observed and a dimerization constant of 121 mol^−1^ was calculated. The motional correlation times for the monomer and the dimer were calculated at τ~cm~ = 0.18 ns and τ~cd~ = 0.36 ns, respectively. The geometry of the self‐stacked dimer was analysed by measuring intermolecular dipolar cross‐relaxation rates and interpreted in terms of the conformation of the aminoalkyl moiety.
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