Design of an organocatalyst for ion-molecule SN2 reactions: A new solvent effect on the reaction rate predicted by ab initio calculations

Journal of Molecular Catalysis A: Chemical

Volumn 239, Issue 1-2, 2005, Pages 228-234

  Pliego Jr , Josefredo R ^a  

^a FEDERAL UNIVERSITY OF SANTA CATARINA   (Brazil)

Author keywords

Ab initio calculation; Esterification; Nucleophilic substitution; Organocatalysis; Reaction mechanism; Supramolecular chemistry

Indexed keywords

ESTERIFICATION; ORGANIC COMPOUNDS; RATE CONSTANTS; REACTION KINETICS; SUBSTITUTION REACTIONS; SULFUR COMPOUNDS; SUPRAMOLECULAR CHEMISTRY;

AB INITIO CALCULATIONS; FREE ENERGY BARRIER; NUCLEOPHILIC SUBSTITUTION; ORGANOCATALYSIS;

CATALYSTS;

EID: 23344435925     PISSN: 13811169     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molcata.2005.06.025     Document Type: Article

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