Substituent effects on the N.M.R. spectra of carboxylic acid derivatives. II. 3H N.M.R. spectra of substituted benzamides and N-alkylbenzamides

Autor:	DJ Calvert, RW Martin, CJ O'Conner
Rok vydání:	1981
Předmět:	chemistry.chemical_classification Reaction mechanism Chemical shift Carboxylic acid Substituent General Chemistry Crystal structure Medicinal chemistry Quantum chemistry chemistry.chemical_compound chemistry Biocatalysis Ab initio quantum chemistry methods Physical chemistry
Zdroj:	Australian Journal of Chemistry. 34:2297
ISSN:	0004-9425
DOI:	10.1071/ch9812297
Popis:	The tritium n.m.r. spectra of 12 substituted benzamides and five series of N-alkylbenzamides have been measured, after tritiation of the amides, and the chemical shifts, δN3H, have been compared with δNH. The values correlate well when σR(BA) is substituted in the Taft DSP equation. Good correlations are also obtained with the Hammett σ parameter. The non-equivalence of the two amido protons of benzamides, arising from the barrier to rotation round the carbon-nitrogen bond, has been confirmed by use of triton n.m.r. spectroscopy.
Databáze:	OpenAIRE
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