Aromaticity-controlled tautomerism and resonance-assisted hydrogen bonding in heterocyclic enaminone-iminoenol systems

Journal of Organic Chemistry

Volumn 72, Issue 3, 2007, Pages 725-735

  Zubatyuk, Roman I ^a,b,c   Volovenko, Yulian M ^d   Shishkin, Oleg V ^a,b,c,e   Gorb, Leonid ^e,f   Leszczynski, Jerzy ^e  

^a INSTITUTE FOR SINGLE CRYSTALS   (Ukraine)

^b Ukrainian American Laboratory of Computational Chemistry   (Ukraine)

^c Ukrainian American Laboratory of Computational Chemistry   (United States)

^d TARAS SHEVCHENKO NATIONAL UNIVERSITY OF KYIV   (Ukraine)

^e JACKSON STATE UNIVERSITY   (United States)

^f INSTITUTE OF MOLECULAR BIOLOGY AND GENETICS   (Ukraine)

Author keywords

[No Author keywords available]

Indexed keywords

AROMATICITY; HETEROCYCLE; INTRAMOLECULAR HYDROGEN BONDING; TAUTOMERISM;

ALCOHOLS; HYDROGEN BONDS; PARAMETER ESTIMATION; RESONANCE; STEREOCHEMISTRY;

AROMATIC COMPOUNDS;

(1H AZAHETERO 2 YLIDENE)ACETALDEHYDE; 2 AZAHETERO 2 YLETHANOL; ACETALDEHYDE; ALCOHOL DERIVATIVE; AROMATIC COMPOUND; ENAMINE; ENAMINONE DERIVATIVE; HETEROCYCLIC COMPOUND; IMINE; IMINOENOL DERIVATIVE; UNCLASSIFIED DRUG;

AB INITIO CALCULATION; ARTICLE; CHEMICAL ANALYSIS; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ENERGY; GEOMETRY; HYDROGEN BOND; PROTON TRANSPORT; QUANTUM CHEMISTRY; STRUCTURE ANALYSIS; THEORY;

ACETALDEHYDE; AZA COMPOUNDS; ETHANOL; HETEROCYCLIC COMPOUNDS; HYDROGEN BONDING; MOLECULAR STRUCTURE; QUANTUM THEORY; STEREOISOMERISM;

EID: 33846920615     PISSN: 00223263     EISSN: None     Source Type: Journal    
DOI: 10.1021/jo0616411     Document Type: Article

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