Condensation of β-diester titanium enolates with carbonyl substrates: A combined DFT and experimental investigation

Chemistry - A European Journal

Volumn 15, Issue 43, 2009, Pages 11537-11550

  Marrone, Alessandro ^a   Renzetti, Andrea ^a   De Maria, Paolo ^a   Gérard, Stéphane ^b   Sapi, Janos ^b   Fontana, Antonella ^a   Re, Nazzareno ^a  

^a UNIVERSITY OF CHIETI   (Italy)

^b CNRS   (France)

Author keywords

Aldol reaction; Density functional calculations; Elimination; Knoevenagel condensation; Titanium

Indexed keywords

ALDOL REACTION; ALDOL REACTIONS; CARBONYL SUBSTRATES; DENSITY FUNCTIONAL CALCULATIONS; DIESTERS; ELIMINATION; ENERGY PROFILE; ENOLATES; EXPERIMENTAL EVIDENCE; EXPERIMENTAL INVESTIGATIONS; EXPERIMENTAL METHODS; KNOEVENAGEL CONDENSATION; PLAUSIBLE MECHANISMS; REACTION PATHWAYS; THEORETICAL RESULT; THREE-STEP MECHANISM; UV/ VIS SPECTROSCOPY;

ALDEHYDES; CONDENSATION; DENSITY FUNCTIONAL THEORY; PROBABILITY DENSITY FUNCTION; TITANIUM;

COORDINATION REACTIONS;

ALDEHYDE; MALONIC ACID DERIVATIVE; MALONIC ACID DIETHYL ESTER; TITANIUM; TITANIUM TETRACHLORIDE;

ALGORITHM; ARTICLE; CHEMISTRY; KINETICS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; THERMODYNAMICS;

ALDEHYDES; ALGORITHMS; KINETICS; MAGNETIC RESONANCE SPECTROSCOPY; MALONATES; THERMODYNAMICS; TITANIUM;

EID: 70350493689     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.200901595     Document Type: Article

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