Studies on Suzuki‐Miyaura Reactions Catalyzed by Ferrocenyl or Cobaltocenyl Phosphines Ligated Palladium Complexes |
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| Authors: | Jun Hsiao Chia‐Ming Weng Fung‐E Hong |
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| Institution: | Department of Chemistry, National Chung Hsing University, 250 Kuo‐Kuang Road, Taichung 40227, Taiwan |
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| Abstract: | 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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| Keywords: | DFT Suzuki‐Miyaura cross‐coupling reaction Palladium complexes Ferrocenyl phosphine Cobaltocenyl phosphine Secondary phosphine oxide |
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