Solution structure of succinylacetone, an unsymmetrical β-diketone, as studied by13C NMR and GIAO-DFT calculations

Journal of Organic Chemistry

Volumn 74, Issue 22, 2009, Pages 8604-8609

  Bal, Dominika ^a   Kraska Dziadecka, Anna ^a   Gryff Keller, Adam ^a  

^a WARSAW UNIVERSITY OF TECHNOLOGY   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL EQUATIONS; DFT CALCULATION; DIANIONS; DIKETONES; ENOLIZATION; GIAO DFT; HEME BIOSYNTHESIS; MONOANIONS; QUANTITATIVE COMPARISON; SOLUTION STRUCTURES; UNSYMMETRICAL; WATER SOLUTIONS;

BIOCHEMISTRY; CHEMICAL REACTIONS; KETONES; NUCLEAR MAGNETIC RESONANCE; PORPHYRINS; PROBABILITY DENSITY FUNCTION; STEEL BEAMS AND GIRDERS; SULFUR COMPOUNDS;

SIMULATED ANNEALING;

1,3 DIKETONE; ANION; SUCCINYLACETONE;

ARTICLE; CARBON NUCLEAR MAGNETIC RESONANCE; CHEMICAL STRUCTURE; CONFORMATION; DENSITY FUNCTIONAL THEORY; HYDRATION; STRUCTURE ANALYSIS;

CARBON ISOTOPES; COMPUTER SIMULATION; HEPTANOATES; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, CHEMICAL; MOLECULAR STRUCTURE; QUANTUM THEORY; SOLUTIONS;

EID: 70449632705     PISSN: 00223263     EISSN: None     Source Type: Journal    
DOI: 10.1021/jo901673j     Document Type: Article

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