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Luminescence Modulation, White Light Emission, and Energy Transfer in a Family of Lanthanide Metal–Organic Frameworks Based on a Planar π-Conjugated Ligand
Crystal Growth & Design ( IF 3.2 ) Pub Date : 2017-07-06 00:00:00 , DOI: 10.1021/acs.cgd.7b00530 Xiu-Yuan Li 1 , Wen-Juan Shi 1 , Xiao-Qing Wang 1 , Li-Na Ma 1 , Lei Hou 1 , Yao-Yu Wang 1
Crystal Growth & Design ( IF 3.2 ) Pub Date : 2017-07-06 00:00:00 , DOI: 10.1021/acs.cgd.7b00530 Xiu-Yuan Li 1 , Wen-Juan Shi 1 , Xiao-Qing Wang 1 , Li-Na Ma 1 , Lei Hou 1 , Yao-Yu Wang 1
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Three isostructural lanthanide metal–organic frameworks (Ln-MOFs), {[Ln2(BDPO)1.5(DMA)3(H2O)]·5H2O }n (1-Ln, Ln = Eu, Gd, and Tb) were constructed by a less-investigated large delocalized π-electron conjugated ligand N,N′-bis(3,5-dicarboxyphenyl)-oxalamide (H4BDPO). 1-Ln reveals unprecedented trinodal (4,4,6)-connected networks based on binuclear cluster units and planar BDPO linkers. Density functional theory (DFT) and time dependent-DFT calculations were performed on the ground and excited states to provide insight into geometries, the frontier molecular orbitals, and singlet and triplet state energies of H4BDPO ligand. 1-Eu and 1-Tb exhibit strong typical red and green emission of Eu3+ and Tb3+ ions, respectively, originating from the highly efficient energy transfer from BDPO to metal centers, as demonstrated by the comparison of triplet excited energies of ligands and metal ions. Importantly, by doping different concentrations of Eu3+ and Tb3+ ions, a series of dichromatic doped 1-EuxTb1-x MOFs were fabricated, showing an unusual fluent change of luminescent color among green, yellow, orange, and red. Meanwhile, the trimetallic doped 1-Eu0.0855Gd0.6285Tb0.2860 emits white light, with the correlated color temperature of 5129 K as well as an absolute quantum yield of 22.4%.
中文翻译：
基于平面π共轭配体的镧系金属有机骨架中的发光调制，白光发射和能量转移
三种同构镧系金属有机骨架（Ln-MOF），{[Ln 2（BDPO）1.5（DMA）3（H 2 O）]·5H 2 O} n（1-Ln，Ln = Eu，Gd和Tb ）由较少研究的大离域π电子共轭配体N，N'-双（3,5-二羧苯基）-草酰胺（H 4 BDPO）构成。1-Ln揭示了基于双核簇单元和平面BDPO链接器的前所未有的三节点（4、4、6）连接的网络。在基态和激发态上进行了密度泛函理论（DFT）和与时间有关的DFT计算，以提供对H 4 BDPO配体的几何形状，前沿分子轨道以及单重态和三重态态能的了解。1-Eu和1-Tb分别表现出强烈的Eu 3+和Tb 3+离子典型的红色和绿色发射，这是由于从BDPO到金属中心的高效能量转移所致，如配体的三重激发能比较和金属离子。重要的是，通过掺杂不同浓度的Eu 3+和Tb3+离子，一系列二色性掺杂的1铕X铽1- X的MOF被制造，表示发光颜色中的绿色，黄色，橙色，和红色一个不寻常的变化流畅。同时，三金属掺杂的1-Eu 0.0855 Gd 0.6285 Tb 0.2860发出白光，相关色温为5129 K，绝对量子产率为22.4％。
更新日期：2017-07-06
中文翻译：
基于平面π共轭配体的镧系金属有机骨架中的发光调制，白光发射和能量转移
三种同构镧系金属有机骨架（Ln-MOF），{[Ln 2（BDPO）1.5（DMA）3（H 2 O）]·5H 2 O} n（1-Ln，Ln = Eu，Gd和Tb ）由较少研究的大离域π电子共轭配体N，N'-双（3,5-二羧苯基）-草酰胺（H 4 BDPO）构成。1-Ln揭示了基于双核簇单元和平面BDPO链接器的前所未有的三节点（4、4、6）连接的网络。在基态和激发态上进行了密度泛函理论（DFT）和与时间有关的DFT计算，以提供对H 4 BDPO配体的几何形状，前沿分子轨道以及单重态和三重态态能的了解。1-Eu和1-Tb分别表现出强烈的Eu 3+和Tb 3+离子典型的红色和绿色发射，这是由于从BDPO到金属中心的高效能量转移所致，如配体的三重激发能比较和金属离子。重要的是，通过掺杂不同浓度的Eu 3+和Tb3+离子，一系列二色性掺杂的1铕X铽1- X的MOF被制造，表示发光颜色中的绿色，黄色，橙色，和红色一个不寻常的变化流畅。同时，三金属掺杂的1-Eu 0.0855 Gd 0.6285 Tb 0.2860发出白光，相关色温为5129 K，绝对量子产率为22.4％。
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