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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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