A Three-Blade-Paddlewheel Unit-Based Layered Metal–Organic Framework with Synergistic Intermolecular Interactions for Efficient Iodine Adsorption

IF 3.2 2区化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Crystal Growth & Design Pub Date : 2024-06-20 DOI:10.1021/acs.cgd.4c00436

Ying-Xia Wang, Bao-Yue Niu, Fang Zheng, Shu-Wei Zhu, Lu-Qian Deng and Xian-Ming Zhang*,

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Abstract

The sustainable development of nuclear energy urgently requires the development of appropriate materials for the effective adsorption of radioiodine. Electron-donating group-functionalized layered metal–organic frameworks (MOFs) can not only enhance the host–guest interactions but also avoid the reduction of free pore voids benefit by the flexible interlayer spacing, supposed to have excellent I₂ adsorption ability. Herein, by rational selection of methyl-decorated aromatic 4,4′,4″-(2,4,6-trimethylbenzene-1,3,5-triyl)tribenzoic acid (H₃TMTB) and Zn(NO₃)₂·6H₂O as the building units, a three-blade-paddlewheel unit-based layered [Zn₂(TMTB)(H₂O)₂]·(OH^–)·guest (1), possessing rare [Zn₂(COO)₃(H₂O)₂]⁺ unit, was successfully synthesized and systematically characterized. I₂ adsorption study indicated that 1 is recyclable and the maximum adsorption in organic solution and vapor phase is 77.7 mg g^–1 and 2.00 g g^–1, respectively. Grand Canonical Monte Carlo simulations revealed that the layered structure in synergy with the coexistence of −CH₃, π-electron-rich phenyl, and [Zn₂(COO)₃(H₂O)₂]⁺ contribute to the excellent performance. This work may provide a new way for the development of advanced I₂ adsorption MOF-based materials.

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基于三叶片-桨轮单元的层状金属有机框架与高效碘吸附的协同分子间相互作用

核能的可持续发展迫切需要开发能有效吸附放射性碘的合适材料。电子捐赠基团官能化的层状金属有机框架（MOFs）既能增强主客体间的相互作用，又能通过灵活的层间距避免自由孔隙的减少，因而具有优异的碘吸附能力。在此，通过合理选择甲基装饰芳香族 4,4′,4″-（2,4,6-三甲基苯-1,3,5-三基）三苯甲酸（H3TMTB）和 Zn(NO3)2-6H2O 作为构建单元、成功合成了具有稀有[Zn2(COO)3(H2O)2]+单元的基于三叶桨轮单元的层状[Zn2(TMTB)(H2O)2]-(OH-)-guest (1)，并对其进行了系统表征。I2 吸附研究表明，1 是可回收的，在有机溶液和气相中的最大吸附量分别为 77.7 mg g-1 和 2.00 g-1。大卡农蒙特卡洛模拟显示，层状结构与 -CH3、富含 π 电子的苯基和 [Zn2(COO)3(H2O)2]+ 的共存协同作用造就了卓越的性能。这项工作可能会为开发先进的 I2 吸附 MOF 基材料提供一条新的途径。

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来源期刊

Crystal Growth & Design 化学-材料科学：综合

CiteScore

6.30

自引率

10.50%

发文量

650

审稿时长

1.9 months

期刊介绍： The aim of Crystal Growth & Design is to stimulate crossfertilization of knowledge among scientists and engineers working in the fields of crystal growth, crystal engineering, and the industrial application of crystalline materials. Crystal Growth & Design publishes theoretical and experimental studies of the physical, chemical, and biological phenomena and processes related to the design, growth, and application of crystalline materials. Synergistic approaches originating from different disciplines and technologies and integrating the fields of crystal growth, crystal engineering, intermolecular interactions, and industrial application are encouraged.