化学
发光
双金属片
结晶学
氢键
热重分析
粉末衍射
密度泛函理论
单晶
光化学
金属
分子
无机化学
有机化学
计算化学
材料科学
光电子学
作者
Qin Huang,Rui Zhang,Li-Hua He,Jing‐Lin Chen,Feng Zhao,Sui‐Jun Liu,He‐Rui Wen
出处
期刊:Inorganic Chemistry
[American Chemical Society]
日期:2022-09-21
卷期号:61 (39): 15629-15637
被引量:11
标识
DOI:10.1021/acs.inorgchem.2c02506
摘要
A thermo-, mechano-, and vapochromic bimetallic cuprous-emissive complex has been reported, and the origin and application of its tri-stimuli-responsive luminescence have been explored. As revealed by single-crystal structure analysis, thermo- and vapochromic luminescence adjusted by heating at 60 °C and CH3CN vapor fuming, accompanied by a crystalline-to-crystalline transition, is due to the breaking and rebuilding of the CH3CN-Cu bond, as supported by 1H nuclear magnetic resonance (NMR), Fourier-transform infrared (FT-IR) spectroscopy, powder X-ray diffraction (PXRD), thermogravimetry (TG), and time-dependent density functional theory (TD-DFT) analyses of the CH3CN-coordinated species [Cu2(μ-dppa)2(μ-η1(N)η2(N,N)-fptz)(CH3CN)](ClO4)·H2O (1) and its CH3CN-removed derivative [Cu2(μ-dppa)2(μ-η1(N)η2(N,N)-fptz)](ClO4)·H2O (2). Luminescence mechanochromism, mixed with a crystalline-to-amorphous transition where the initial crystalline is different for 1 and 2, is mainly assigned as the destruction of the CH3CN-Cu bonding and/or the O···HNdppa and OH···Ntriazolyl hydrogen bonds. It is also suggested that a rational use of switchable coordination such as weak metal-solvent bonding is a feasible approach to develop multi-stimuli-responsive luminescent materials and devices.
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