A Sodium Metal‐Organic Framework with Deep Blue Room‐Temperature Phosphorescence

• Published in: Chemistry : a European journal Vol. 31; no. 1; pp. e202402715 - n/a
• Main Authors: Wei, Yan‐Mei, Li, Chen‐Hui, Dong, Min, Huang, Rui‐Kang, Pang, Wei, Xu, Zhong, Wei, Yongbiao, Qin, Weirong, Huang, Jing, Huang, Yong, Ye, Jia‐Wen, Huang, Jin
• Format: Journal Article
• Language: English
• Published: Germany Wiley Subscription Services, Inc 02.01.2025
• Subjects: Afterglows; Antifungal agents; Blue afterglow; Decay; Density functional theory; Dicarboxylic acids; Environmental conditions; Excitons; First principles; Hydrogen bond; Hydrogen bonds; Ligands; Light sources; Metal-organic framework; Metal-organic frameworks; Phosphorescence; Phosphors; Room-temperature phosphorescent; Sodium; Temperature dependence; Room-temperature phosphorescent; Metal-organic framework; Blue afterglow; Hydrogen bond
• ISSN: 0947-6539; 1521-3765; 1521-3765
• DOI: 10.1002/chem.202402715

It is a great challenge to manufacture room‐temperature blue long afterglow phosphorescent materials adapted to environmental conditions. Herein, an Na‐based metal‐organic framework (MOF) was constructed using Na+ and 1H‐1,2,4‐triazole‐3,5‐dicarboxylic acid, which exhibits long‐lived of 378.9 ms, deep blue and room‐temperature phosphorescence, meanwhile possesses the visible blue afterglow for 3~6 seconds after removing excitation light source. The three‐dimensional coordination bonds network provided by Na‐based MOF protects the organic ligands intrinsic hydrogen bond network, resulting in the phosphor lifetime and residual color remaining unchanged in different gas atmospheres. Furthermore, first‐principles time‐dependent density functional theory reveals that the rigid Na‐based MOF structure can limit the rotation and vibration of the room‐temperature phosphorescent organic ligands. This limitation results in the suppression of non‐radiative decay for both singlet and triplet excitons, promotes intersystem crossing, and increases the rate of radiative decay, ultimately achieving long‐lived room‐temperature phosphorescence. Construct metal‐organic framework (MOF) strategy to provide three‐dimensional coordination bonds network to protect the organic ligands intrinsic Hydrogen bond network. The MOF‐based phosphor exhibits the suppression of the nonradiative decay of singlet and triplet excitons, from and promote the inter‐system scampering and the rate of radiative decay, and achieve the long‐lived room‐temperature dark‐blue phosphorescence.