Department of Chemistry, Pohang University of Science and Technology, 77 Cheongam-Ro, 37673, Pohang, Republic of Korea.
Dalton Trans. 2018 Dec 28;47(48):17206-17210. doi: 10.1039/c8dt03884h. Epub 2018 Nov 22.
The first study of fluxional motion in [Cu(2-HPB)(MeCN)Cl] (1,2-HPB = hexa(2-pyridyl)benzene) is presented. For detailed examination of the fluxional motion mechanism, a monofluorinated derivative of the ligand (MFHPB) and its copper(i) complexes were synthesized and characterized. The solution NMR studies of monofluoro copper(i) complex 1a suggest the existence of five species in equilibrium. NMR spectra and DFT calculations suggest the fluxional motion of 1 resulting in the "metal hopping process" of two copper(i) ions.
首次研究了 [Cu(2-HPB)(MeCN)Cl]（1,2-HPB = 六（2-吡啶基）苯）中的动态变化。为了详细研究动态变化机制，合成并表征了配体的单氟化衍生物（MFHPB）及其铜（i）配合物。单氟铜（i）配合物 1a 的溶液 NMR 研究表明存在五种平衡物种。NMR 谱和 DFT 计算表明 1 的动态变化导致两个铜（i）离子的“金属跳跃过程”。
