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The NMR spectrum and conformation of 2,3‐difluoropropionic acid ethyl ester
Author(s) -
Hägele G.,
Harris R. K.,
Sartori P.
Publication year - 1971
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.1270030409
Subject(s) - conformational isomerism , electronegativity , methylene , substituent , chemistry , crystallography , spectrum (functional analysis) , stereochemistry , spectral line , nmr spectra database , computational chemistry , medicinal chemistry , physics , organic chemistry , molecule , quantum mechanics
The 1 H and 19 F NMR spectra of the CH 2 FCHF group in FCH 2 CHFCO 2 C 2 H 5 were analysed on the basis of an ABCXY spin system. The non‐equivalence of the methylene protons is discussed in terms of rotational isomerism. It is concluded that the dominant rotamer is probably considerably distorted from a perfectly staggered orientation. The variation of 3 J HF with substituent electronegativity is reviewed.