1H, 13C, 17O NMR and quantum-chemical study of the stereochemistry of the sulfoxide and sulfone derivatives of 3-arylidene-1-thioflavan-4-one epoxides

Magnetic Resonance in Chemistry

Volumn 41, Issue 3, 2003, Pages 193-201

  Kovács, József ^a   Tóth, Gábor ^a   Simon, András ^a   Lévai, Albert ^b   Koch, Andreas ^c   Kleinpeter, Erich ^c  

^a BUDAPEST UNIVERSITY OF TECHNOLOGY AND ECONOMICS   (Hungary)

^b UNIVERSITY OF DEBRECEN   (Hungary)

^c UNIVERSITY OF POTSDAM   (Germany)

Author keywords

13C NMR; 17O NMR; 1H NMR; 3J(C,H) couplings; B3LYP 6 31G* DFT calculation; Conformational analysis; NMR; Spiroepoxides

Indexed keywords

CHEMICAL SHIFT; CONFORMATIONS; GROUND STATE; ISOMERS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY;

13C NMR; 17O NMR; 1H NMR; 3J(C,H) COUPLING; AB INITIO CALCULATIONS; B3LYP/6-31G; B3LYP/6-31G* DFT CALCULATION; CONFORMATIONAL ANALYSIS; DFT CALCULATION; SPIROEPOXIDE;

QUANTUM CHEMISTRY;

DIMETHYLDIOXIRANE; EPOXIDE; ETHYLENE OXIDE; OXYGEN; SULFONE DERIVATIVE; SULFOXIDE;

AB INITIO CALCULATION; ARTICLE; ATOM; CARBON NUCLEAR MAGNETIC RESONANCE; CHEMICAL BOND; CIS ISOMER; CONFORMATIONAL TRANSITION; DIELECTRIC CONSTANT; NUCLEAR OVERHAUSER EFFECT; OXIDATION; OXYGEN NUCLEAR MAGNETIC RESONANCE; PROTON NUCLEAR MAGNETIC RESONANCE; QUANTUM THEORY; STEREOCHEMISTRY; STRUCTURE ANALYSIS; SUBSTITUTION REACTION; TRANS ISOMER;

EID: 0037283319     PISSN: 07491581     EISSN: None     Source Type: Journal    
DOI: 10.1002/mrc.1153     Document Type: Article

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