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Self-Assembly of Aligned Hybrid One-Dimensional Stacks from Two Complementary π-Bowls

机译:从两个互补π碗的对齐混合一维堆叠的自组装

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摘要

Designed synthesis of a new crystalline donor–acceptor organic hybrid has been accomplished by using two bowl-shaped polycyclic aromatic hydrocarbons (PAHs) having complementary structures and properties, namely, C20H10 and C5-C20H5(CF3)5. The X-ray structural characterization of the product, [(C20H10)·(C20H5(CF3)5)]·C6H4Cl2, revealed the formation of aligned columnar stacks of alternating C20H10 and C20H5(CF3)5 molecules with centroid-to-centroid distances of 3.658(8) and 3.787(8) ? and a small bowl slip of 0.086(6) ?. The tight bowl packing is accompanied by notable molecular geometry adjustments of the individual PAHs. The bowl depth increased for corannulene (Δ = +0.019 ?) and decreased for sym-pentakis(trifluoromethyl)corannulene (Δ = ?0.011 ?), facilitating enhancement of concave–convex interactions along the stacks. The parallel alignment of one-dimensional columns is supported by multiple intermolecular interactions involving C6H4Cl2 used as the crystallization solvent, forming an infinite two-dimensional network in the solid state.]]>
机译:<![cdata [ src ='http://pubs.acs.org/appl/literatum/publisher/achs/journals/content/cgdefu/2018/cgdefu.2018.18.issue-1/acs.cgd.7b01258/ 20171227 / Images / Medium / CG-2017-01258Y_0007.gif“>设计了新的结晶供体 - 受体有机杂种的合成,通过使用具有互补结构和性质的两个碗状多环芳烃(PAH)来完成,即C.C 20 h 10 和c 5 -c 20 h 5 (cf 3 5 。产物的X射线结构表征,[(C 20 h 10 )·(c 20 h 5 (CF 3 5 )]·c 6 h 4 cl 2 ,揭示了交替C 20 h 10 20 h 5 的对齐柱状堆叠的形成。(cf <亚> 3 5 分子,质心距4.658(8)和3.787(8)?和一个0.086(6)的小碗滑动?。紧身碗包装伴随着个体PAHS的显着分子几何调节。碗深度增加了金刚素(δ= +0.019?),并且对于羟基(三氟甲基)氨基烯(δ=Δ011≤)减少,促进沿着堆叠的凹凸相互作用的增强。一维列的平行对准是通过多分形相互作用来支持,所述多分子相互作用涉及C 6 H 4 Cl 2 用作结晶溶剂,形成一个固态的无限二维网络。]>

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  • 来源
    《Crystal growth & design》 |2018年第1期|共5页
  • 作者单位

    Department of Chemistry University at Albany State University of New York Albany New York 12222 United States;

    University of Michigan Library Ann Arbor Michigan 48109 United States;

    Department of Chemistry Colorado State University Fort Collins Colorado 80523 United States;

    Department of Chemistry Colorado State University Fort Collins Colorado 80523 United States;

    Department of Chemistry Colorado State University Fort Collins Colorado 80523 United States;

    Department of Chemistry University at Albany State University of New York Albany New York 12222 United States;

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  • 正文语种 eng
  • 中图分类 晶体学;
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