Four-Center Nodes: Supramolecular Synthons Based on Cyclic Halogen Bonding |
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| Authors: | Mariya A Kryukova Dr Daniil M Ivanov Dr Mikhail A Kinzhalov Dr Alexander S Novikov Dr Andrey S Smirnov Prof Dr Nadezhda A Bokach Prof Dr Vadim Yu Kukushkin |
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| Institution: | Institute of Chemistry, Saint Petersburg State University, Universitetskaya Nab. 7/9, 199034 Saint Petersburg, Russian Federation |
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| Abstract: | The isocyanide trans-PdBr2(CNC6H4-4-X′)2] (X′=Br, I) and nitrile trans-PtX2(NCC6H4-4-X′)2] (X/X′=Cl/Cl, Cl/Br, Br/Cl, Br/Br) complexes exhibit similar structural motif in the solid state, which is determined by hitherto unreported four-center nodes formed by cyclic halogen bonding. Each node is built up by four Type II C−X′⋅⋅⋅X−M halogen-bonding contacts and include one Type I M−X⋅⋅⋅X−M interaction, thus giving the rhombic-like structure. These nodes serve as supramolecular synthons to form 2D layers or double chains of molecules linked by a halogen bond. Results of DFT calculations indicate that all contacts within the nodes are typical noncovalent interactions with the estimated strengths in the range 0.6–2.9 kcal mol−1. |
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| Keywords: | crystal engineering four-center nodes halogen bonding noncovalent interactions supramolecular synthons |
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