The effects of intramolecular and intermolecular coordination on 31P nuclear shielding: phosphorylated azoles

The effects of intramolecular and intermolecular coordination on 31P nuclear shielding have been investigated in the series of tetracoordinated, pentacoordinated and hexacoordinated N‐vinylpyrazoles and intermolecular complexes of N‐vinylimidazole and 1‐allyl‐3,5‐dimethylpyrazole with phosphorous pe...

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Bibliographic Details

Published in:	Magnetic resonance in chemistry Vol. 50; no. 2; pp. 120 - 127
Main Authors:	Chernyshev, Kirill A., Larina, Ludmila I., Chirkina, Elena A., Krivdin, Leonid B.
Format:	Journal Article
Language:	English
Published:	Chichester, UK John Wiley & Sons, Ltd 01-02-2012
Subjects:	31P NMR 31P shielding constants coordination effects DFT GIAO PCM pyrazoles relativistic corrections spin-orbit interaction ZORA
Online Access:	Get full text
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