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Infrared and nuclear magnetic resonance properties of benzoyl derivatives of five‐membered monoheterocycles and determination of aromaticity indices
Author(s) -
Jeon Kyu Ok,
Jun Jung Ho,
Yu Ji Sook,
Lee Chang Kiu
Publication year - 2003
Publication title -
journal of heterocyclic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.321
H-Index - 59
eISSN - 1943-5193
pISSN - 0022-152X
DOI - 10.1002/jhet.5570400504
Subject(s) - chemistry , substituent , aromaticity , chloroform , chemical shift , ring (chemistry) , infrared , quantum chemical , resonance (particle physics) , infrared spectroscopy , spectral line , linear correlation , computational chemistry , nuclear magnetic resonance , stereochemistry , organic chemistry , molecule , physics , particle physics , astronomy , optics , statistics , mathematics
Benzophenones, 2‐benzoylthiophenes, 2‐benzoylpyrroles, and 2‐benzoylfurans, which have substituents at m ‐ and p ‐positions of the benzoyl ring were prepared and their ir and nmr spectra were obtained in 0.1 M chloroform‐ d solution. The chemical shift values of each series were plotted against the Hammett substituent parameters to give good correlation, with the exception of the ortho ‐Hs and ‐Cs. The slopes as well as the differences in chemical shift gave sets of meaningful values for the indices of aromaticy.