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Influence of Aryl Substituents on the Alignment of Ligands in the Dirhodium Tetrakis(1,2,2‐Triarylcyclopropane‐ carboxylate) Catalysts
Author(s) -
Ren Zhi,
Musaev Djamaladdin G.,
Davies Huw M. L.
Publication year - 2021
Publication title -
chemcatchem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.497
H-Index - 106
eISSN - 1867-3899
pISSN - 1867-3880
DOI - 10.1002/cctc.202001206
Subject(s) - aryl , substituent , chemistry , rhodium , catalysis , carboxylate , medicinal chemistry , stereochemistry , organic chemistry , alkyl
Computational studies revealed that dirhodium tetrakis(1,2,2‐triarylcyclopropanecarboxylate) (Rh 2 (TPCP) 4 ) catalysts adopt distinctive high symmetry orientations, which are dependent on the nature of the aryl substitution pattern. The parent catalyst, Rh 2 (TPCP) 4 , and those with a p ‐substituent at the C1 aryl, such as Rh 2 ( p ‐BrTPCP) 4 and Rh 2 ( p ‐PhTPCP) 4 , adopt a C 2 ‐symmetric structure. Rh 2 (3,5‐di( p ‐ t BuC 6 H 4 )TPCP) 4 , 3,5‐disubstituted at the C1 aryl, adopts a D 2 ‐symmetric structure, whereas catalysts with an o ‐substituent at the C1 aryl, such as Rh 2 ( o ‐Cl‐5‐BrTPCP) 4, adopt a C 4 ‐symmetric structure.