Determination of local effects for chloroaluminate ionic liquids on Diels-Alder reactions

Journal of Molecular Graphics and Modelling

Volumn 28, Issue 2, 2009, Pages 95-101

  Acevedo, Orlando ^a  

^a AUBURN UNIVERSITY   (United States)

Author keywords

Catalysis; Chloroaluminates; Density functional theory (DFT); Diels Alder reaction; Ionic liquids

Indexed keywords

ACTIVATION BARRIERS; ANION EFFECTS; CATION RATIO; CHLOROALUMINATES; CYCLOPENTADIENES; DENSITY FUNCTIONAL THEORY (DFT); DENSITY FUNCTIONAL THEORY CALCULATIONS; DIELS-ALDER REACTION; DIENOPHILES; EXPERIMENTAL OBSERVATION; HYDROGEN BONDINGS; LOCAL EFFECTS; METHYL ACRYLATES; MICROENVIRONMENTS; ORGANIC SYNTHESIS; RATE ACCELERATION; RATE OF REACTION; REACTION CONDITIONS; ROOM TEMPERATURE IONIC LIQUIDS; SOLVENT EFFECTS; TRANSITION STATE;

CATALYSIS; DENSITY FUNCTIONAL THEORY; DENSITY OF LIQUIDS; HYDROGEN; HYDROGEN BONDS; IONIZATION OF LIQUIDS; OLEFINS; POSITIVE IONS; PROBABILITY DENSITY FUNCTION; REACTION RATES; SOLVENTS;

IONIC LIQUIDS;

1 ETHYL 3 METHYLIMIDAZOLIUM TETRACHLOROALUMINATE; ACRYLIC ACID METHYL ESTER; ANION; CATION; CYCLOPENTADIENE DERIVATIVE; HEPTACHLORODIALUMINATE; IONIC LIQUID; UNCLASSIFIED DRUG;

ARTICLE; DENSITY FUNCTIONAL THEORY; DIELS ALDER REACTION; HYDROGEN BOND; NUCLEAR MAGNETIC RESONANCE; PRIORITY JOURNAL; ROOM TEMPERATURE; THERMODYNAMICS;

IONIC LIQUIDS; MOLECULAR STRUCTURE; SOLVENTS;

ALNUS;

EID: 70349306545     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmgm.2009.04.003     Document Type: Article

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