Investigation of the configuration of alkyl phenyl ketone phenylhydrazones from ab initio 1H NMR chemical shifts.
Using ab initio GIAO calculations the experimental 1H NMR spectra of the E and Z isomers of alkyl phenyl ketone phenylhydrazones R1-C(Ph) = N-NH-Ph (R1 = Me, Et, iPr, and tBu) have been re-interpreted and deviations from Karabatsos' rule or from the assignment of Bellamy and Hunter have been discussed in the light of the optimized geometrical structures.
Trabelsi
Mahmoud
M
Laboratoire de Chimie Appliquée: Hétérocycles, Corps Gras et Polymères, Faculté des Sciences de Sfax, route de la Soukra Km 4, 3018 Sfax, Tunisia.
Salem
Mansour
M
Champagne
Benoît
B