Rotational isomers of the radical-anions of 2-carbonyl-containing derivatives of 5-nitrofuran

The radical-anions of 2-carbonyl-containing derivatives of 5-nitrofuran were obtained by electrochemical generation. Their ESR spectra indicate the existence of a mixture of O,O-cis and O,O-trans rotational isomers. The parameters of the isomers were identified by INDO calculations. The more polar f...

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Veröffentlicht in:	Chem. Heterocycl. Compd. (Engl. Transl.); (United States) 1987-01, Vol.23 (1), p.8-15
Hauptverfasser:	Gavar, R. A., Baumane, L. Kh, Stradyn', Ya. P., Fleisher, M. B., Chernaeva, M., Kovach, Ya
Format:	Artikel
Sprache:	eng
Schlagworte:	400201 - Chemical & Physicochemical Properties 640302 - Atomic, Molecular & Chemical Physics- Atomic & Molecular Properties & Theory ANGULAR MOMENTUM ANIONS ATOMIC AND MOLECULAR PHYSICS ATOMIC MODELS CHARGED PARTICLES CHEMICAL REACTIONS CHEMISTRY COMPUTERIZED SIMULATION DIPOLE MOMENTS ELECTROCHEMISTRY ELECTRON SPIN RESONANCE ELECTRONIC STRUCTURE FURANS HETEROCYCLIC COMPOUNDS HYPERFINE STRUCTURE INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY IONS ISOMERIZATION ISOMERS MAGNETIC RESONANCE MATHEMATICAL MODELS MECHANICS NITRO COMPOUNDS ORGANIC COMPOUNDS ORGANIC NITROGEN COMPOUNDS ORGANIC OXYGEN COMPOUNDS ORGANIC SOLVENTS PARTICLE PROPERTIES QUANTUM MECHANICS RESONANCE SIMULATION SOLVENTS SPIN
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Zusammenfassung:	The radical-anions of 2-carbonyl-containing derivatives of 5-nitrofuran were obtained by electrochemical generation. Their ESR spectra indicate the existence of a mixture of O,O-cis and O,O-trans rotational isomers. The parameters of the isomers were identified by INDO calculations. The more polar form (the cis isomer) is more stable in polar media.
ISSN:	0009-3122 1573-8353
DOI:	10.1007/BF00475464