Influence of anthraquinone scaffold on E/Z isomer distribution of two thiosemicarbazone derivatives. 2D NMR and DFT studies

[Display omitted] •2D NMR: two anthraquinone-thiosemicarbazones exist as the E-isomers.•The most stable conformers of the E- and Z-isomers of both compounds were revealed.•DFT: E-isomers are thermodynamically more stable than Z-isomers.•Perfect agreement between the experimental and calculated 13C N...

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Veröffentlicht in:	Journal of molecular structure 2014-01, Vol.1058, p.291-297
Hauptverfasser:	Markovic, Violeta, Joksovic, Milan, Markovic, Svetlana, Jakovljevic, Ivan
Format:	Artikel
Sprache:	eng
Schlagworte:	Anthraquinone Anthraquinones Conformational analysis Derivatives Dominance of E-isomer E/Z isomerism Esters Favorable conformation Hydrogen bond Hydrogen bonds Isomers Nuclear magnetic resonance Thiosemicarbazone Two dimensional
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