Barriers to internal rotation around the C-N bond in 3-(o-aryl)-5-methyl- rhodanines using NMR spectroscopy and computational studies. Electron density topological analysis of the transition states

Organic and Biomolecular Chemistry

Volumn 2, Issue 17, 2004, Pages 2426-2436

  Aydeniz, Yeliz ^a   Oǧuz, Funda ^a   Yaman, Arzu ^a   Konuklar, Aylin Sungur ^a   Doǧan, Ilknur ^a   Aviyente, Viktorya ^a   Klein, Roger A ^b  

^a BOGAZICI UNIVERSITY   (Turkey)

^b UNIVERSITY OF BONN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

CARRIER CONCENTRATION; CHEMICAL ACTIVATION; CHEMICAL BONDS; COMPUTATIONAL METHODS; ISOMERS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; OXYGEN; PROBABILITY DENSITY FUNCTION; SUBSTITUTION REACTIONS; SULFUR; TOPOLOGY;

ACTIVATION BARRIERS; BOND CRITICAL POINTS (BCP); ELECTRON DENSITY TOPOLOGY; TRANSITION STATES (TS);

AROMATIC HYDROCARBONS;

DRUG DERIVATIVE; RHODANINE;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; CONFORMATION; ELECTRON; ISOMERISM; METHODOLOGY; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; ROTATION; THERMODYNAMICS;

COMPUTER SIMULATION; ELECTRONS; ISOMERISM; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, CHEMICAL; MOLECULAR CONFORMATION; RHODANINE; ROTATION; THERMODYNAMICS;

EID: 4744376162     PISSN: 14770520     EISSN: None     Source Type: Journal    
DOI: 10.1039/b406556e     Document Type: Article

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