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首页> 外文期刊>Crystal growth & design >Water-Soluble Squaramide Dihydrates: N-Methylation Modulates the Occurrence of One- and Two-Dimensional Water Clusters through Hydrogen Bonding and Dipolar Interactions
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Water-Soluble Squaramide Dihydrates: N-Methylation Modulates the Occurrence of One- and Two-Dimensional Water Clusters through Hydrogen Bonding and Dipolar Interactions

机译：水溶性Squaramide二水合物：N-甲基化通过氢键和双极相互作用调节一种和二维水簇的发生

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摘要

Water confined in molecular size domains is distinct to bulk water. The altered interactions between adjacent water molecules, and between water molecules and molecular wall components of the confinement system, determine aspects of important phenomena in material science, biology, and nanotechnology. The structural determination of confined water, however, has proven to be challenging. Here, we describe the crystal structures of three related squaramides 1-3 whose molecular structures are modulated by the gradual incorporation of N-methyl groups to the squaramide moiety. The three squaramides differ in their hydrogen bonding capabilities due to the different degree of N-methylation of each one. Thus, while 1.2H(2)O forms narrow tapes of water molecules, the monomethylated squaramide 2.2H(2)O produces two-dimensional water layers, and the dimethylated squaramide 3.2H(2)O develops polymeric one dimensional water chains. Our observations show that N-methylation heavily alters the interplay between H-bonding and dipolar stacking, the two supramolecular interactions that govern the structural arrangement of squaramides 1-3, hence modulating the arrangement of the water molecules within the crystals.
机译：局限于分子大小域的水与大量水有明显。相邻水分子之间的改变的相互作用，以及监禁系统的水分子与水分子和分子壁部件，确定材料科学，生物学和纳米技术的重要现象的方面。然而，狭窄水的结构测定已被证明是挑战性的。在此，我们描述了三种相关的Squaramides 1-3的晶体结构，其分子结构通过将N-甲基逐渐掺入鳞甲烷部分来调节。由于每个氢粘接能力，三种鳞片的氢键能力不同。因此，虽然1.2h（2）o形成水分子的窄带，但单甲基化的鳞片化合物2.2h（2）o产生二维水层，并且二甲基化芳基的Squaramide 3.2h（2）o显影聚合物一维水链。我们的观察结果表明，N-甲基化严重改变了H键合和偶极堆叠之间的相互作用，其两个超分子相互作用来控制Squaramides 1-3的结构排列，因此调节晶体内的水分子的布置。

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  • 来源
    《Crystal growth & design》 |2018年第8期|共8页
  • 作者

    Ximenis Marta; Pitarch-Jarque Javier; Blasco Salvador; Rotger Carmen; Garcia-Espana Enrique; Costa Antonio;

  • 作者单位

    Univ Illes Balears Dept Chem Ctra Valldemossa Km 7-5 Palma De Mallorca 07122 Spain;

    Univ Valencia Inst Ciencia Mol ICMOL C Catedrat Jose Beltran 2 Valencia 46980 Spain;

    Univ Valencia Inst Ciencia Mol ICMOL C Catedrat Jose Beltran 2 Valencia 46980 Spain;

    Univ Illes Balears Dept Chem Ctra Valldemossa Km 7-5 Palma De Mallorca 07122 Spain;

    Univ Valencia Inst Ciencia Mol ICMOL C Catedrat Jose Beltran 2 Valencia 46980 Spain;

    Univ Illes Balears Dept Chem Ctra Valldemossa Km 7-5 Palma De Mallorca 07122 Spain;

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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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