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A case of negative homoallylic coupling constants: 3‐cyclopentenone
Author(s) -
Lemarié B.,
Ripoll J. L.
Publication year - 1977
Publication title -
organic magnetic resonance
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0030-4921
DOI - 10.1002/mrc.1270100138
Subject(s) - geminal , cndo/2 , cyclopentenone , coupling constant , cyclopentene , chemistry , computational chemistry , perturbation (astronomy) , physics , mathematical physics , stereochemistry , quantum mechanics , organic chemistry , molecule , catalysis
Abstract The 1 H n.m.r. spectrum of 3‐cyclopentenone has been analysed and all (except the geminal) HH couplings obtained with their signs. The results are compared (i) with those obtained previously for the derivatives of cyclopentene and (ii) with those calculated by CNDO/2 and INDO finite perturbation methods. The coupling constants are discussed in order to define the factors contributing to the couplings.