Tautomeric equilibria of 3-formylacetylacetone: Low-temperature NMR spectroscopy and ab initio calculations

Journal of Organic Chemistry

Volumn 74, Issue 13, 2009, Pages 4878-4881

  Basílio Janke, Eline M ^a   Schlund, Sebastian ^b   Paasche, Alexander ^b   Engels, Bernd ^b   Dede, Rüdiger ^d   Hussain, Ibrar ^c   Langer, Peter ^c   Rettig, Michael ^d   Weisz, Klaus ^d  

^a FREIE UNIVERSITÄT BERLIN   (Germany)

^b UNIVERSITY OF WÜRZBURG   (Germany)

^c UNIVERSITY OF ROSTOCK   (Germany)

^d UNIVERSITY OF GREIFSWALD   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; AB INITIO CALCULATIONS; CHEMICAL EQUATIONS; CONFORMATIONAL EQUILIBRIUM; DFT CALCULATION; DIELECTRIC CONSTANTS; GASPHASE; KETO GROUPS; LOW TEMPERATURES; NMR SPECTROSCOPY; TAUTOMERIC EQUILIBRIA; TAUTOMERIZATION; VERY LOW TEMPERATURES;

CHEMICAL REACTIONS; FREONS; NUCLEAR MAGNETIC RESONANCE; PROBABILITY DENSITY FUNCTION; SULFUR COMPOUNDS;

NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY;

3 FORMYLACETYLACETONE; ACETYLACETONE; CARBONYL DERIVATIVE; FORMIC ACID DERIVATIVE; SOLVENT; UNCLASSIFIED DRUG;

AB INITIO CALCULATION; ARTICLE; CONFORMATION; DENSITY FUNCTIONAL THEORY; DIELECTRIC CONSTANT; LOW TEMPERATURE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; SOLVATION;

ALDEHYDES; CYCLIZATION; FORMATES; GASES; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, MOLECULAR; PENTANONES; SOLUTIONS; SOLVENTS; STEREOISOMERISM; TEMPERATURE;

EID: 67649595285     PISSN: 00223263     EISSN: None     Source Type: Journal    
DOI: 10.1021/jo9004475     Document Type: Article

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