Mechanism insight into the cyanide-catalyzed benzoin condensation: A density functional theory study

Journal of Physical Chemistry A

Volumn 114, Issue 34, 2010, Pages 9222-9230

  He, Yunqing ^a,b   Xue, Ying ^a,c  

^a Key Lab of Green Chemistry and Technology in Ministry of Education   (China)

^b SICHUAN UNIVERSITY OF ARTS AND SCIENCE   (China)

^c SICHUAN UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

A-DENSITY; ACTIVATION FREE ENERGY; APROTIC SOLVENTS; BASIS SETS; BENZOIN CONDENSATION; DOMINANT PATHWAYS; HYDROXY-ETHER; PROTONIC SOLVENTS; REACTION MECHANISM; TRANSITION STATE;

ACTIVATION ENERGY; ALDEHYDES; CATALYSIS; CONDENSATION; CYANIDES; ETHERS; QUANTUM CHEMISTRY; REACTION INTERMEDIATES; SOLVENTS; SURFACE REACTIONS;

DENSITY FUNCTIONAL THEORY;

BENZOIN; NITRILE; SOLVENT;

ARTICLE; CATALYSIS; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; QUANTUM THEORY; THERMODYNAMICS;

BENZOIN; CATALYSIS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; NITRILES; QUANTUM THEORY; SOLVENTS; THERMODYNAMICS;

EID: 77956163725     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp103031q     Document Type: Article

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