An N.M.R. Investigation of Polarization of Pyridine by +R Substituents and a Proposed New Method for Determination of the Substituent Resonance Parameter (σR)

Autor:	PM Hatton, S Sternhell
Rok vydání:	1993
Předmět:	chemistry.chemical_compound chemistry Ab initio quantum chemistry methods Pyridine Supramolecular chemistry Substituent Physical chemistry Density functional theory General Chemistry Crystal structure Quantum chemistry Macromolecule
Zdroj:	Australian Journal of Chemistry. 46:149
ISSN:	0004-9425
DOI:	10.1071/ch9930149
Popis:	The previously established 1H n.m.r. method of probing bond order1 has been used to show that electron-donating (+R) substituents at C2 of pyridine cause significant ground-state polarization of the heteroaromatic system. This has led to a new and independent method of estimating the substituent resonance parameter (σR ).
Databáze:	OpenAIRE
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