## Abstract **Verschiebung im Kristall**: Die NMR‐Spektroskopie eignet sich für die Strukturbestimmung von mikrokristallinen paramagnetischen Festkörpern ohne Isotopenanreicherung. Paramagnetische Effekte, die unter bestimmten Aufnahmebedingungen in ^1^H‐NMR‐Spektren auftreten, werden genutzt, um d
Lanthanide porphyrin complexes: Investigation by means of NMR spectroscopy and mathematical simulation
✍ Scribed by T. A. Babushkina; L. G. Koreneva; V. F. Zolin
- Publisher
- John Wiley and Sons
- Year
- 1986
- Tongue
- English
- Weight
- 530 KB
- Volume
- 24
- Category
- Article
- ISSN
- 0749-1581
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✦ Synopsis
The structure of a lanthanide porphyrin complex was reinvestigated using a new treatment for the paramagnetic NMR shifts. It was found to differ from that obtained previously in that the ion was closer to the macrocyclic ligand. The new treatment is based on ab inifio estimation of the coefficients describing the anisotropy of magnetic susceptibility, proportional to the pseudo-contact shifts. These coefficients were estimated using an electrostatic model of the complex; the 'extra' Egand @-diketonate) was taken into account and shown to be essential. The NMR spectrum of a non-axial complex under conditions of restricted rotation of the 'extra' Egand is described.
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