Base-Metal Catalysis - presented by Prof. Lingling Chu and Assoc. Prof. Ming Joo Koh and Prof. Zhan Lu and Assoc. Prof. Tatsuhiko Yoshino and Prof. Naohiko Yoshikai

Base-Metal Catalysis

Lingling Chu, Ming Joo Koh, Zhan Lu and Tatsuhiko Yoshino

Prof. Lingling ChuAssoc. Prof. Ming Joo KohAssoc. Prof. Tatsuhiko YoshinoProf. Zhan Lu
Slide at 1:49:44
DFT Calculation of CMD Step
TSmajor for (R)-enantiomer
TSminor for (S)-enantiomer
-Co-NH
AAG+ = +0.0 kcal/mol
AAG+ = +2.3 kcal/mol
Conformation at GFN2-xTB level; ;M06/def2-TZVPP+SMD(tBuOH)//M06L/def2-SVP
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Summary (AI generated)

In the first transitional state for the major enantio, we observe π bond interaction between the re group and the substrate Switch bonds. In the minor transitional state for the minor enantio, there is no clear R CHP bond interaction, which may affect the order of the goods activity. This is a second summary, where we also realize selective synthesis of benzo DN in one site using a cobalt catalyst.