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Influence of the C—H· · ·N intramolecular interaction on the spatial structures and 1 H and 13 C NMR parameters of heteroaryl vinyl ethers and sulfides
Author(s) -
Afonin Andrei V.,
Ushakov Igor A.,
Kuznetsova Svetlana Yu.,
Andriyankova Lyudmila V.
Publication year - 2003
Publication title -
magnetic resonance in chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0749-1581
DOI - 10.1002/mrc.1215
Subject(s) - chemistry , intramolecular force , molecule , nmr spectra database , nuclear magnetic resonance spectroscopy , stereochemistry , proton nmr , carbon 13 nmr , spectral line , computational chemistry , organic chemistry , physics , astronomy
A complete analysis of the 1 H and 13 C spectra of the representative series of heteroaryl vinyl ethers and sulfides and heteroaryl styryl sulfides was carried out. The electronic and spatial structures of these compounds are discussed. It was shown that the C—H· · ·N intramolecular interactions in the investigated molecules influence significantly the spectral parameters and the conformational equilibrium. Copyright © 2003 John Wiley & Sons, Ltd.