Quantum-chemical calculations of chemical shifts in NMR spectra of organic molecules: V. Stereochemical structure of unsaturated phosphonic acids dichlorides from 31P NMR spectral data

Autor:	Leonid B. Krivdin, Lyudmila I. Larina, E. A. Chirkina, Kirill A. Chernyshev, V. G. Rozinov
Rok vydání:	2012
Předmět:	Quantum chemical NMR spectra database Computational chemistry Carbon-13 NMR satellite Stereochemistry Chemistry Chemical shift Organic Chemistry Fluorine-19 NMR Carbon-13 NMR Quantum chemistry Organic molecules
Zdroj:	Russian Journal of Organic Chemistry. 48:676-681
ISSN:	1608-3393 1070-4280
DOI:	10.1134/s1070428012050077
Popis:	The stereochemical structure of unsaturated phosphonic acids dichlorides containing fragments C=C-POCl2 and C=N-POCl2 was investigated by 31P NMR spectroscopy and quantum chemistry. Starting from the experimental measurement and theoretical calculation of 31P NMR chemical shifts configurations were assigned and the conformational composition of compounds under study was determined.
Databáze:	OpenAIRE
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