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Pentafluorobutane; an example of long‐range five bond HF coupling
Author(s) -
de Marco A.,
Gatti G.
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.1270030516
Subject(s) - vicinal , conformational isomerism , butane , coupling constant , coupling (piping) , fluorine , range (aeronautics) , proton , chemistry , computational chemistry , crystallography , molecular physics , materials science , physics , molecule , organic chemistry , quantum mechanics , metallurgy , composite material , catalysis
The complete analysis of the spectrum of 2,2,4,4,4‐pentafluoro‐n‐butane is reported. From the sum of the vicinal proton‐fluorine coupling constants an estimate of the conformational energy has been obtained and successively the long‐range coupling of the individual conformers has been calculated.