Ligand size effect on PdLn oxidative addition with aryl bromide: A DFT study

Chinese Journal of Chemical Physics

Volumn 23, Issue 2, 2010, Pages 175-179

  Sun, Wen Jing ^a   Chu, Wei ^a   Yu, Liang Jun ^b   Jiang, Cheng Fa ^a  

^a SICHUAN UNIVERSITY   (China)

^b Hunan Zhongchuang Chemical Co Ltd   (China)

Author keywords

Cross coupling reaction; DFT method; Ligand size effect; Oxidative addition; Process simulation

Indexed keywords

ADDITION REACTIONS; CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; DIMETHYLFORMAMIDE; LIGANDS; METAL HALIDES; ORGANOMETALLICS;

CROSS COUPLING REACTIONS; DFT METHOD; OXIDATIVE ADDITIONS; PROCESS SIMULATIONS; SIZE EFFECTS;

PALLADIUM COMPOUNDS;

EID: 77952989518     PISSN: 16740068     EISSN: None     Source Type: Journal    
DOI: 10.1088/1674-0068/23/02/175-179     Document Type: Article

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