Cai Li Ling, Hu Ya Tao, Li Yan, Wang Kai, Zhang Xiu Qing, Muller Gilles, Li Xue Ming, Wang Gui Xia
Key Laboratory of Electrochemical and Magneto-Chemical Functional Materials, College of Chemistry and Bioengineering, Guilin University of Technology, Guilin 541004, PR China.
Department of Chemistry, San José State University, One Washington Square, San José, CA 95192-0101, USA.
Inorganica Chim Acta. 2019 Apr 1;489:85-92. doi: 10.1016/j.ica.2019.02.001. Epub 2019 Feb 10.
Four mononuclear lanthanide complexes containing 4'-phenyl-2,2':6',2″-terpyridine (ptpy), [Ln(NO)(ptpy) (HO)] (Ln = Eu (), Gd (), Tb (), Dy ()), were solvothermally synthesized and characterized via elemental analysis, infrared spectroscopy, thermogravimetric analysis, single-crystal X-ray diffraction, and powder X-ray diffraction. Hirshfeld surfaces and the solid-state luminescence properties of the complexes were investigated. The 3-D Hirshfeld surface and 2-D fingerprint plots show that the main interactions are the O H/H O intermolecular interactions in -. Solid-state luminescence investigation reveals that Gd complex displays a ligand-centered emission and the Eu, Tb and Dy complexes , and show the characteristic lanthanide-centered luminescence upon UV excitations. The Eu and Tb complexes exhibit red (CIE: 0.6549, 0.3447) and green (CIE: 0.3760, 0.5412) luminescence in the solid state with quantum yields of 16.8% and 0.8% and lifetimes of 0.545 and 0.043 ms, respectively. Density functional theory (DFT) calculations were conducted to unravel the HOMO-LUMO energy gaps of the structures of ptpy and complexes and .
通过溶剂热法合成了四种含4'-苯基-2,2':6',2″-三联吡啶（ptpy）的单核镧系配合物[Ln(NO)(ptpy)(H₂O)]（Ln = Eu（）、Gd（）、Tb（）、Dy（）），并通过元素分析、红外光谱、热重分析、单晶X射线衍射和粉末X射线衍射对其进行了表征。研究了这些配合物的Hirshfeld表面和固态发光性质。三维Hirshfeld表面和二维指纹图谱表明，在 - 中主要的相互作用是O-H/H-O分子间相互作用。固态发光研究表明，Gd配合物显示出以配体为中心的发射，而Eu、Tb和Dy配合物 、 和 在紫外激发下显示出特征性的以镧系元素为中心的发光。Eu和Tb配合物在固态中分别呈现红色（CIE：0.6549，0.3447）和绿色（CIE：0.3760，0.5412）发光，量子产率分别为16.8%和0.8%，寿命分别为0.545和0.043 ms。进行了密度泛函理论（DFT）计算以揭示ptpy以及配合物 和 的结构的HOMO-LUMO能隙。
