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Competitive adsorption and dynamics of guest molecules in 2D molecular sieves

机译:2D分子筛中客体分子的竞争性吸附和动力学

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摘要

The nanoporous network formed by 1,3,5-tris(10-carboxydecyloxy) benzene (TCDB) was used as the host nanoporous network. It has been identified that a variety of guest molecules (such as triphenylene, 1-phenyloctane and copper(II) phthalocyanine (CuPc)) can be dispersed in this template to form binary supramolecular architectures, which were studied by scanning tunneling microscopy (STM). It is interesting to observe that the host network can adjust itself in response to the molecular size and shape of the guest, and the guest molecules can be excluded by some other guest molecules. The dynamics of CuPc molecules entrapped in TCDB is reported. The STM images as well as the density-functional theory (DFT) calculations reveal that the guest selectivity depends not only on geometry of guest molecules, but also on their adsorption energy in host networks.
机译:由1,3,5-三(10-羧基癸氧基)苯(TCDB)形成的纳米孔网络用作宿主纳米孔网络。已经确定,可以将多种客体分子(例如三亚苯基,1-苯基辛烷和酞菁铜(II))分散在此模板中,以形成二元超分子结构,并通过扫描隧道显微镜(STM)对其进行了研究。 。有趣的是,宿主网络可以响应于客体的分子大小和形状进行自我调节,而客体分子可能被其他客体分子所排斥。报道了在TCDB中截留的CuPc分子的动力学。 STM图像以及密度泛函理论(DFT)计算表明,客体选择性不仅取决于客体分子的几何形状,还取决于其在宿主网络中的吸附能。

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