CH–π and CF–π Interactions Lead to Structural Changes of N‐Heterocyclic Carbene Palladium Complexes |
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| Authors: | Xiangya Xu Benjamin Pooi Prof?Dr Hajime Hirao Prof?Dr Soon Hyeok Hong |
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| Affiliation: | 1. Center for Nanoparticle Research, Institute for Basic Science (IBS), Seoul 151‐742 (Republic of Korea);2. Department of Chemistry, College of Natural Sciences, Seoul National University, Seoul 151‐747 (Republic of Korea);3. Korea Carbon Capture & Sequestration R&D Center, Daejeon 305‐303 (Republic of Korea);4. Division of Chemistry and Biological Chemistry, School of Physical and Mathematical Sciences, Nanyang Technological University, Singapore 637371 (Singapore) |
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| Abstract: | 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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| Keywords: | conformation analysis hydrogen bonds noncovalent interactions palladium π interactions |
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