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Hydrogen-bonded one-And two-dimensional hybrid water-chloride motifs

机译：氢键一维和二维混合水氯化物图案

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摘要

The organic salt α,α'-p-xylene-N,N'-bis(3- hydroxymethylpyridinium) dichloride (1) has been crystallized in two hydrated forms, namely, 1A and 1B, with two and three water molecules as lattice guests, respectively. These supramolecular structures were well characterized by various physicochemical techniques such as CHN analysis, IR, thermogravimetric, differential scanning calorimetry, NMR, powder X-ray diffraction, and single crystal X-ray diffraction. Both hydrates are fairly stable and soluble in water and other polar solvents. Structural analysis of 1A and 1B reveals that various hydrogen bonding interactions such as C- H?Cl ~-, O-H?Cl ~-, and O-H?O between the cationic organic moiety, chloride anion, and lattice water molecules play a crucial role in stabilizing the zigzag water-chloride infinite chains in 1A and a novel two-dimensional water-chloride [(H _2O)10(Cl ~-) _6] _n network in 1B. In addition to the above-mentioned hydrogen bonding interactions, strong electrostatic interactions between cation and anion play an important role in assembly of such hybrid networks. Interestingly, dehydration followed by a rehydration process results in the recovery of [(H _2O)10(Cl ~-) _6] _n waterchloride net leading to the regeneration of 1B in the case of both solvates. The structural studies of both hydrates and their reversible inter conversion via solid-gas reactions and recrystallization experiments provide comprehensive information about cooperative hydrogen bonding behavior of the chosen system.
机译：有机盐α，α'-对二甲苯-N，N'-双（3-羟甲基吡啶鎓）二氯化物（1）以两种水合形式结晶，即1A和1B，其中两个和三个水分子作为晶格客体， 分别。这些超分子结构通过各种物理化学技术进行了很好的表征，例如CHN分析，IR，热重分析，差示扫描量热法，NMR，粉末X射线衍射和单晶X射线衍射。两种水合物都相当稳定，可溶于水和其他极性溶剂。对1A和1B的结构分析表明，阳离子有机部分，氯离子和晶格水分子之间的各种氢键相互作用（如C-H2Cl〜-，OH？Cl〜-和OH？O）起着关键作用。稳定1A中的锯齿形水氯化物无限链和1B中的新型二维水氯化物[（H _2O）10（Cl〜-）_6] _n网络。除了上述氢键相互作用之外，阳离子和阴离子之间的强静电相互作用在此类混合网络的组装中也起重要作用。有趣的是，在脱水后进行再水化过程会导致[（H _2O）10（Cl〜-）_6] _n盐酸盐网的回收，导致在两种溶剂化物的情况下再生1B。水合物的结构研究及其通过固-气反应和可重结晶实验进行的可逆相互转化提供了有关所选系统协同氢键行为的全面信息。

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