Multidynamic Crystalline Molecular Rotors Comprising an N-Heterocyclic Carbene Binuclear Au(I) Complex Bearing Multiple Rotators |
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| Authors: | Prof Dr Mingoo Jin Satsuki Matsuura Hikaru Yamamoto Prof Dr Motohiro Mizuno Prof Dr Hajime Ito |
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| Institution: | 1. Institute for Chemical Reaction Design and Discovery (WPI-ICReDD), Hokkaido University, Sapporo, Hokkaido, 060-8628 Japan;2. Division of Applied Chemistry and Frontier Chemistry Center (FCC), Faculty of Engineering, Hokkaido University, Sapporo, Hokkaido, 060-8628 Japan;3. Division of Material Chemistry, Graduate School of Natural Science and Technology, Nanomaterials Research Institute, Kanazawa University Kakuma-machi, Kanazawa, 920-1192 Japan |
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| Abstract: | We report multidynamic molecular rotations in crystals using a concave-shape N-heterocyclic carbene (NHC) binuclear Au(I) complex rotor bearing pyrazine and tetrahydrofuran (THF) molecules as multicomponent rotators. Single-crystal X-ray diffraction (XRD) measurements revealed that two THF molecules are located near the central pyrazine encapsulated by two bulky NHC ligands. From 2H solid-state NMR analysis, it was observed that the pyrazine rotated in a 2-fold site exchange with a 180° rotational angle and a 31 kJ mol−1 energy barrier, while the THF molecules showed a 23°-38° libration with a lower energy barrier (14 kJ mol−1). Interestingly, the pyrazine rotation was accelerated when the THF molecules rotated in fast site exchange with a large angle of libration, suggesting that the rotators exhibit multidynamics in a correlated manner. |
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| Keywords: | correlated motion crystalline molecular rotor molecular dynamics multicomponent crystal NHC metal complex |
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