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

Competitive adsorption and dynamics of guest molecules in 2D molecular sieves
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DOI:
10.1039/c1jm10260e
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发表时间:
2011-06
影响因子:
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通讯作者:
Yongtao Shen;Li Zeng;Da Lei;Xuemei Zhang;K. Deng;Yiyu Feng;W. Feng;S. Lei;Shufei Li;
Yongtao Shen;Li Zeng;Da Lei;Xuemei Zhang;K. Deng;Yiyu Feng;W. Feng;S. Lei;Shufei Li;
中科院分区:
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文献类型:
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作者:
Yongtao Shen;Li Zeng;Da Lei;Xuemei Zhang;K. Deng;Yiyu Feng;W. Feng;S. Lei;Shufei Li;

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由1,3,5-三(10-羧基癸氧基)苯(TCDB)形成的纳米多孔网络被用作主体纳米多孔网络。通过扫描隧道显微镜(STM)研究发现,苯并菲、1-苯基辛烷和酞菁铜(CuPc)等客体分子可以分散在该模板中形成二元超分子结构。有趣的是,观察到主体网络可以响应于客体分子的大小和形状来调整自身,并且客体分子可以被一些其他客体分子排斥。报道了酞菁铜分子在TCDB中的动力学。STM图像以及密度泛函理论(DFT)计算表明,客体的选择性不仅取决于客体分子的几何形状,而且还取决于它们在主体网络中的吸附能。
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.