Lanthanide ion contained metal–organic frameworks (MOFs) have garnered significant attention in the fields of solid‐state lighting and chemical sensing due to their porous structure and distinctive optical properties. However, they also present challenges because of the limited photoluminescence (PL) intensity resulting from the parity‐forbidden f–f transitions of lanthanide ions. Herein, the study reports a new heterometallic MOFs Ln3Li2L4 (Li‐Ln‐MOF, Ln = Y, Eu, Tb and Dy, L = deprotonated 1,3,5‐tris(4‐carboxyphenyl)benzene) with a Brunauer‐Emmett‐Teller (BET) surface area of 774.1 m2/g. The porous crystal structure of Li‐Ln‐MOF is characterized by three kinds of channels interpenetrating with each other. By employing ligand alternation and lanthanide ion alloying strategies, Li‐Y1‐xEux‐MOF1 crystal isostructural with Li‐Ln‐MOF is synthesized by using 2,4,6‐tris(4‐carboxyphenyl)‐1,3,5‐triazine (H3TATB) as ligand. The Li‐Y0.7Eu0.3‐MOF1 crystal excels in the comprehensive performance with a BET surface area of 858.8 m2 g−1 and a near‐unity PL quantum yield. The time density functional theory and natural transition orbitals calculations unravel that the outstanding optical properties Li‐Y0.7Eu0.3‐MOF1 originates from the charge transfer between TATB3− and Eu3+. Benefiting from the excellent comprehensive performance of Li‐Y1‐xEux‐MOF1, the study reveals their potentials as single‐composition white‐light emission and fluorescent sensing probe for the detection of nitrobenzene.

中文翻译：

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具有近乎一致光致发光量子产率的锂-镧系异金属有机框架，用于硝基苯的单一成分白光发射和荧光传感

含有稀土离子的金属有机框架（MOF）由于其多孔结构和独特的光学特性而在固态照明和化学传感领域引起了广泛关注。然而，它们也面临着挑战，因为稀土离子的宇称禁止的 f-f 跃迁导致光致发光 (PL) 强度有限。在此，研究报告了一种新的异金属 MOFs Ln3李2L4（Li-Ln-MOF，Ln = Y、Eu、Tb 和 Dy，L = 去质子化 1,3,5-三（4-羧基苯基）苯），Brunauer-Emmett-Teller (BET) 表面积为 774.1 m2/G。 Li-Ln-MOF的多孔晶体结构具有三种相互贯穿的通道的特征。通过采用配体交替和镧系离子合金化策略，Li-Y1‐X欧洲联盟X与Li-Ln-MOF同构的-MOF1晶体是通过使用2,4,6-三(4-羧基苯基)-1,3,5-三嗪（H3TATB)作为配体。 Li-Y0.7欧洲联盟0.3‐MOF1晶体综合性能优异，BET比表面积达858.8 m2G−1以及接近统一的 PL 量子产率。时间密度泛函理论和自然跃迁轨道计算揭示了Li-Y出色的光学特性0.7欧洲联盟0.3‐MOF1源自TATB之间的电荷转移3−和欧盟3+。受益于Li-Y优异的综合性能1‐X欧洲联盟X‐MOF1，该研究揭示了它们作为单一成分白光发射和荧光传感探针用于检测硝基苯的潜力。