Z, E-Isomerization mechanism for N-arylthio-1,4-benzoquinonimines: DNMR and DFT investigations

Magnetic Resonance in Chemistry

Volumn 46, Issue 9, 2008, Pages 811-817

  Pirozhenko, V V ^a   Rozhenko, A B ^a,b   Avdeenko, A P ^c   Konovalova, S A ^c   Santalova, A A ^c  

^a INSTITUTE OF ORGANIC CHEMISTRY   (Ukraine)

^b BIELEFELD UNIVERSITY   (Germany)

^c DONBASS STATE ENGINEERING ACADEMY   (Ukraine)

Author keywords

B3LYP; Benzoquinonimines; DFT calculations; Inversion; Isomerization; Line shape analysis; Variable temperature 1H NMR

Indexed keywords

ACTIVATION ENERGY; CHEMICAL BONDS; ISOMERS; LINEAR TRANSFORMATIONS; NITROGEN; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY;

B3LYP; BENZOQUINONIMINE; DFT CALCULATION; H NMR SPECTRA; INVERSION; ISOMERISATION; LINE SHAPE ANALYSIS; THERMODYNAMIC PARAMETER; VARIABLE TEMPERATURE; VARIABLE-TEMPERATURE 1H NMR;

ISOMERIZATION;

EID: 51449116551     PISSN: 07491581     EISSN: 1097458X     Source Type: Journal    
DOI: 10.1002/mrc.2254     Document Type: Article

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