CH-π and CF-π interactions lead to structural changes of N-heterocyclic carbene palladium complexes

CH-π and CF-π interactions lead to structural changes of N-heterocyclic carbene palladium complexes

The role of CH–π and CF–π interactions in determining the structure of N-heterocyclic carbene (NHC) palladium complexes were studied using 1H 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-isopropylimidazo...

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Bibliographic Details
Main Authors: Xu, Xiangya, Pooi, Benjamin, Hirao, Hajime, Hong, Soon Hyeok
Other Authors: School of Physical and Mathematical Sciences
Format: Article
Language:English
Published: 2014
Subjects:
DRNTU::Science::Chemistry
Online Access:https://hdl.handle.net/10356/102922
http://hdl.handle.net/10220/19149
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Institution: Nanyang Technological University
Language: English
Description
Summary:The role of CH–π and CF–π interactions in determining the structure of N-heterocyclic carbene (NHC) palladium complexes were studied using 1H 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)2PdX2] 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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