Heck-type reactions of imine derivatives: A DFT study

Chemistry - An Asian Journal

Volumn 5, Issue 6, 2010, Pages 1475-1486

  Li, Zhe ^a   Fu, Yao ^b   Zhang, Song Lin ^b   Guo, Qing Xiang ^b   Liu, Lei ^a,b  

^a Tsinghua University   (China)

^b UNIVERSITY OF SCIENCE AND TECHNOLOGY OF CHINA   (China)

Author keywords

Density functional theory; Heck coupling; Inline; Mechanism; Palladium

Indexed keywords

ACTIVATION BARRIERS; ARYL HALIDES; C-H ACTIVATION; CATALYTIC CYCLES; CONTINUUM SOLVATION MODELS; DENSITY-FUNCTIONAL METHODS; DFT STUDY; DOUBLE BONDS; HECK COUPLING; HECK-TYPE COUPLING; IMINE DERIVATIVES; IN-LINE; MIGRATORY INSERTION; OXIDATIVE ADDITIONS; RATE DETERMINING STEP;

ACTIVATION ANALYSIS; CATALYST REGENERATION; CHEMICAL BONDS; CHEMICAL REACTIONS; NITROGEN COMPOUNDS; OLEFINS; PALLADIUM;

DENSITY FUNCTIONAL THEORY;

ALKENE; IMINE; ORGANOMETALLIC COMPOUND; PALLADIUM;

ARTICLE; CATALYSIS; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; KINETICS; STEREOISOMERISM; THERMODYNAMICS;

ALKENES; CATALYSIS; COMPUTER SIMULATION; IMINES; KINETICS; MODELS, CHEMICAL; MOLECULAR STRUCTURE; ORGANOMETALLIC COMPOUNDS; PALLADIUM; STEREOISOMERISM; THERMODYNAMICS;

EID: 77952905785     PISSN: 18614728     EISSN: 1861471X     Source Type: Journal    
DOI: 10.1002/asia.200900744     Document Type: Article

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