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 di...

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Veröffentlicht in:	Organic & biomolecular chemistry 2003-11, Vol.1 (21), p.3839-3844
Hauptverfasser:	Trabelsi, Mahmoud, Salem, Mansour, Champagne, Benoît
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Sprache:	eng
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description	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.
doi_str_mv	10.1039/b307528a
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source	Royal Society of Chemistry Journals Archive (1841-2007); Royal Society Of Chemistry Journals 2008-; Alma/SFX Local Collection
title	Investigation of the configuration of alkyl phenyl ketone phenylhydrazones from ab initio 1H NMR chemical shifts
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