基于2-硝基咪唑的二维多孔Pb-MOF: CO 2吸附、电子结构和发光

Xiu-Yuan Li, Ying-Bo Wang, Song Yan, Xiang Dan, Chaozheng He
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引用次数: 1

摘要

采用2-硝基咪唑配体和Pb2+离子成功合成了新型多孔金属有机骨架[Pb5(Ac)7(nIm)3]n(1)。1包含新颖的带状Pb-O SBU,并揭示了具有一维管状通道的二维多孔框架。此外,1对CO2表现出适度的吸附吸收和配体内电荷转移的发光特性。我们通过GCMC模拟进一步证实了硝基和金属离子是重要的吸附位点,并对1的电子结构进行了研究。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
A 2D Porous Pb-MOF Based on 2-Nitroimidazole: CO 2 Adsorption, Electronic Structure and Luminescence
A new porous metal-organic framework, [Pb5(Ac)7(nIm)3]n (1), has been successfully synthesized by employing 2-nitroimidazole ligand and Pb2+ ion. 1 contains novel the ribbon-shaped Pb-O SBU and reveals a 2D porous framework with a 1D tubular channel. Moreover, 1 shows moderate adsorption uptake towards CO2 and luminescence properties from intraligand charge transfer. We further confirmed nitro group and metal ion are important adsorption sites by GCMC simulations, and the electronic structures of 1 was investigated.
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