化学
钯
磷化氢
齿合度
催化作用
药物化学
铃木反应
有机化学
组合化学
金属
作者
Jun Hsiao,Chia-Ming Weng,Fung-E Hong
标识
DOI:10.1002/jccs.201100353
摘要
DFT studies on several dppf- and dppc-derived bidentate phosphines ligated palladium complexes catalyzed Suzuki-Miyaura coupling reactions were pursued. The catalytic reactions employing ligands, having two phosphine biting sites on different cyclpentadienyl or cyclobutadiene rings, such as 1,1'-dmpf or 1,1'-dmpc, have been verified to be energetically more favorable than those on the same ring provided that tetra-coordinated palladium conformations for all transition states and intermediates are maintained. Apart from the purpose of storage, the application of phosphinous acid (R2P(OH)) in Suzuki-Miyaura reaction is inferior to tertiary phosphine (R3P).
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