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首页> 外文期刊>Crystal growth & design >Various Ionic Crystals from the Combination of 1,3-Bis(dicyanomethylidene)indan Anion and pi-Electronic Cations
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Various Ionic Crystals from the Combination of 1,3-Bis(dicyanomethylidene)indan Anion and pi-Electronic Cations

机译：来自1,3-双（二氰基甲基）的组合的各种离子晶体Andan阴离子和PI-电子阳离子

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摘要

1,3-Bis(dicyanomethylidene)indan anion (CMI-) is a stable pi-electronic anion prepared by self-deprotonation. A series of ion-pairing assemblies based on CMI- were investigated by various pi-electronic cations. The packing structures were revealed by single-crystal X-ray analysis, and charge-by-charge and charge-segregated assemblies were obtained. Interestingly, cation-cation and/or anion-anion stacking formations were observed in all the crystal structures, although electrostatic repulsion effects exist between identically charged species. The stabilization of the identically charged stackings by the dipole-dipole interactions was explained from the DFT calculations. In addition, the delocalization of negative or positive charge through the face-to-face stacking and hydrogen bonding between the differently charged species also play an important role for the formation of various assemblies.
机译：1,3-双（二氰甲基）indan阴离子（cmi-）是通过自我去质子制备的稳定的PI-Electron阴离子。 通过各种PI电子阳离子研究了基于CMI的一系列离子配对组件。 通过单晶X射线分析显示填料结构，并获得含电荷和电荷分离的组件。 有趣的是，在所有晶体结构中观察到阳离子和/或阴离子 - 阴离子堆叠形成，尽管在相同的电荷的物种之间存在静电排斥效应。 通过DFT计算解释了偶极 - 偶极相互作用相同带电堆叠的稳定。 另外，通过不同电荷物种之间的面对面堆叠和氢键在不同电荷的物种之间的逐次堆叠的临床化也为形成各种组件的形成重要作用。

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  • 来源
    《Crystal growth & design》 |2019年第10期|共8页
  • 作者

    Tanaka Yuka; Ichijo Keisuke; Kodama Sota; Aoyama Shun; Yoshida Tsukasa; Yamakado Ryohei; Okada Shuji;

  • 作者单位

    Yamagata Univ Grad Sch Organ Mat Sci Dept Organ Mat Sci Yonezawa Yamagata 9928510 Japan;

    Yamagata Univ Grad Sch Organ Mat Sci Dept Organ Mat Sci Yonezawa Yamagata 9928510 Japan;

    Yamagata Univ Grad Sch Organ Mat Sci Dept Organ Mat Sci Yonezawa Yamagata 9928510 Japan;

    Yamagata Univ Grad Sch Organ Mat Sci Dept Organ Mat Sci Yonezawa Yamagata 9928510 Japan;

    Yamagata Univ Grad Sch Organ Mat Sci Dept Organ Mat Sci Yonezawa Yamagata 9928510 Japan;

    Yamagata Univ Grad Sch Organ Mat Sci Dept Organ Mat Sci Yonezawa Yamagata 9928510 Japan;

    Yamagata Univ Grad Sch Organ Mat Sci Dept Organ Mat Sci Yonezawa Yamagata 9928510 Japan;

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  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类 晶体学;
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