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 |
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Hauptverfasser: | , , |
Format: | Artikel |
Sprache: | eng |
Online-Zugang: | Volltext |
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Zusammenfassung: | 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. |
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ISSN: | 1477-0520 |
DOI: | 10.1039/b307528a |