CH–π and CF–π Interactions Lead to Structural Changes of N‐Heterocyclic Carbene Palladium Complexes | Zendy

Xu Xiangya | Zendy; Pooi Benjamin | Zendy; Hirao Hajime | Zendy; Hong Soon Hyeok | Zendy

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CH–π and CF–π Interactions Lead to Structural Changes of N‐Heterocyclic Carbene Palladium Complexes

Author(s) -

Xu Xiangya,

Pooi Benjamin,

Hirao Hajime,

Hong Soon Hyeok

Publication year - 2014

Publication title -

angewandte chemie international edition

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 5.831

H-Index - 550

eISSN - 1521-3773

pISSN - 1433-7851

DOI - 10.1002/anie.201309371

Subject(s) - carbene , palladium , chemistry , isopropyl , aryl , nuclear magnetic resonance spectroscopy , stereochemistry , medicinal chemistry , crystallography , catalysis , organic chemistry , alkyl

The role of CH–π and CF–π interactions in determining the structure of N‐heterocyclic carbene (NHC) palladium complexes were studied using 1 H NMR spectroscopy, X‐ray crystallography, and DFT calculations. The CH–π interactions led to the formation of the cis ‐ anti isomers in 1‐aryl‐3‐isopropylimidazol‐2‐ylidene‐based [(NHC) 2 PdX 2 ] complexes, while CF–π interactions led to the exclusive formation of the cis‐syn isomer of diiodobis(3‐isopropyl‐1‐pentafluorophenylimidazol‐2‐ylidene) palladium(II).

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