Multidynamic Crystalline Molecular Rotors Comprising an N‐Heterocyclic Carbene Binuclear Au(I) Complex Bearing Multiple Rotators
Multidynamic Crystalline Molecular Rotors Comprising an N‐Heterocyclic Carbene Binuclear Au(I) Complex Bearing Multiple Rotators
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包含 N-杂环卡宾双核 Au(I) 复合轴承多转子的多动力晶体分子转子
DOI：
10.1002/ejoc.202201468
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发表时间：
2023
影响因子：
2.8
通讯作者：
Ito Hajime
中科院分区：
文献类型：
--
作者：
Jin Mingoo;Matsuura Satsuki;Yamamoto Hikaru;Mizuno Motohiro;Ito Hajime
本文报道了以吡嗪和四氢呋喃（THF）分子为多组分旋转体的凹型N-杂环卡宾（NHC）双核Au（I）配合物转子在晶体中的多动力学分子旋转。单晶X射线衍射（XRD）测量显示，两个THF分子位于由两个庞大的NHC配体包封的中心吡嗪附近。从2 H固态NMR分析中，观察到吡嗪以180°旋转角和31 kJ mol− 1能垒的2倍位点交换旋转，而THF分子显示出23°-38°的振动，具有较低的能垒（14 kJ mol−1）。 有趣的是，吡嗪旋转加速时，THF分子旋转在快速网站交换与大角度的振动，这表明旋转器表现出多动力学的相关方式。
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. From2H 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−1energy 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.