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首页> 外文期刊>Crystal growth & design >Host Behavior of N,N '-Bis(9-phenyl-9-thioxanthenyl)ethylenediamine in the Presence of Aromatic and Aliphatic Five-Membered Heterocyclic Guests: Selectivity Correlations with Hirshfeld Surface Analyses
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Host Behavior of N,N '-Bis(9-phenyl-9-thioxanthenyl)ethylenediamine in the Presence of Aromatic and Aliphatic Five-Membered Heterocyclic Guests: Selectivity Correlations with Hirshfeld Surface Analyses

机译：N，N'-BIS（9-苯基-9-硫代噻吩基）乙二胺在芳族和脂肪族五元杂环杂项存在下的宿主行为：与HIRSHFELD表面分析的选择性相关性

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摘要

The crystalline compound N,N'-bis(9-phenyl-9-thioxanthenyl)ethylenediamine (1) was assessed for its host ability in the presence of eight five-membered ring heterocyclics, namely, saturated tetrahydrofuran, tetrahydrothiophene, and pyrrolidine, and aromatic equivalents furan, thiophene, and pyrrole and, additionally, imidazole and pyrazole. Host 1 clathrated all six mono-heteroatomic guests, while complexes were not formed with imidazole and pyrazole. Specifically designed guest/guest competition experiments revealed that 1 preferred both the saturated heterocyclics (relative to the aromatics) and the sulfur-containing guests (in both saturated and aromatic series) followed by oxygen and nitrogen (S O N). The affinity of the host for the saturated guests was explained by means of a consideration of the applicable host center dot center dot center dot guest interactions, obtained from single crystal diffraction analyses, where these guests were observed to experience a greater variety and number of these interaction types relative to the aromatic guests. The host selectivity order for the various heteroatoms (S O N) was clarified unfailingly when investigating, quantitatively, the percentage of the guest heteroatom center dot center dot center dot host interactions in each complex by means of Hirshfeld surface analyses. Thermal experiments carried out on all six inclusion compounds provided further illumination for some of the observations made from the competition experiments.
机译：在八个五元环杂环中的存在下，评估结晶化合物N，N'-BIS（9-苯基-9-噻嗪基）乙二胺（1），即饱和四氢呋喃，四氢噻吩和吡咯烷芳香当量呋喃，噻吩和吡咯，另外，咪唑和吡唑。主持人1破坏了所有六位单杂原子的客人，而复合物没有用咪唑和吡唑形成。专门设计的嘉宾竞争实验表明，1优选饱和杂环（相对于芳烃）和含硫的客人（在饱和和芳族系列中），然后是氧气和氮气（S＆ o＆ n）。通过考虑来自单晶衍射分析的适用主持人中心点中心点中心点中心点心，通过考虑到这些客人观察到更多种类和数量相对于芳香客人的交互类型。当通过HIRSHFELD表面分析来调查各种杂原子（​​S＆GT; o＆gt.n）对各种杂原子（​​s＆ o＆ n）的宿主选择性顺序阐明了每种复合物中每种复合物中的客舱杂原子中心点中心点中心点宿主相互作用的百分比。在所有六个包含化合物上进行的热实验为来自竞争实验的一些观察结果提供了进一步的照明。

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  • 来源
    《Crystal growth & design》 |2019年第2期|共14页
  • 作者

    Barton Benita; de Jager Lize; Hosten Eric C.;

  • 作者单位

    Nelson Mandela Univ Dept Chem POB 77000 ZA-6031 Port Elizabeth South Africa;

    Nelson Mandela Univ Dept Chem POB 77000 ZA-6031 Port Elizabeth South Africa;

    Nelson Mandela Univ Dept Chem POB 77000 ZA-6031 Port Elizabeth South Africa;

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  • 正文语种 eng
  • 中图分类 晶体学;
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