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

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Original languageEnglish
Pages (from-to)1283-1287
Journal / PublicationAngewandte Chemie - International Edition
Issue number5
Publication statusPublished - 27 Jan 2014
Externally publishedYes


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). © 2014 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Research Area(s)

  • π interactions, Conformation analysis, Hydrogen bonds, Noncovalent interactions, Palladium