Ice-like Cyclic Water Hexamer Trapped within a Halide Encapsulated Hexameric Neutral Receptor Core: First Crystallographic Evidence of a Water Cluster Confined within a Receptor-Anion Capsular Assembly

Utsab Manna; Senjuti Halder; Gopal Das

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Ice-like Cyclic Water Hexamer Trapped within a Halide Encapsulated Hexameric Neutral Receptor Core: First Crystallographic Evidence of a Water Cluster Confined within a Receptor-Anion Capsular Assembly

机译：被困在卤化物内的冰循环水六角形包封的六偏美中性受体核心：局限于受体 - 阴离子囊组装内的水簇的第一晶证据

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Over the past few decades, the tren [tris(2-aminoethyl)amine] skeleton has materialized as one of the supreme anion binding building blocks demonstrating a strong interplay among topology, complementarity, cooperativity, and coordination. However, anion recognition by modest tren-based unsubstituted aromatic urea has been underexplored, mainly due to the deficiency of π-acidic or electron-withdrawing aryl terminals. This report establishes an infrequent hexameric neutral receptor-anion-water molecular self-assembly, where a conformationally flexible C _(3 v )-symmetric halide (F~(–)/Cl~(–)) encapsulated electron-rich naphthyl group containing N-bridged tripodal urea receptor effectively entraps a chair-shaped ice-like neutral cyclic water hexamer within the hexameric cavity of a neutral receptor-halide host–guest assembly.

机译：在过去的几十年中，Tren [Tris（2-aminoethyl）胺]骨架已经实现为最高阴离子装订积木之一，展示了拓扑，互补性，合作和协调之间的强烈相互作用。然而，通过适度的基于Tren的未取代的芳香族尿素的阴离子识别已经过分曝光，主要是由于π-酸性或电子抽出的芳基末端的缺陷。本报告建立了罕见的六抗体中性受体 - 阴离子自组装，其中柔性柔性C _（3V） - 对称卤化物（F〜（ - ）/ Cl〜（ - ））包封的含有电子的萘硫基 N-Bridged三架尿素受体有效地捕获中性受体 - 卤化物主机组件的六聚体腔内的椅子形冰状中性环状水六聚体。

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《Crystal growth & design》 |2018年第3期|共8页
作者
Utsab Manna; Senjuti Halder; Gopal Das;
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Department of Chemistry Indian Institute of Technology Guwahati Guwahati Assam 781039 India;

Department of Chemistry Indian Institute of Technology Guwahati Guwahati Assam 781039 India;

Department of Chemistry Indian Institute of Technology Guwahati Guwahati Assam 781039 India;

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正文语种 eng
中图分类晶体学;
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1. Ice-like Cyclic Water Hexamer Trapped within a Halide Encapsulated Hexameric Neutral Receptor Core: First Crystallographic Evidence of a Water Cluster Confined within a Receptor-Anion Capsular Assembly [J] . Utsab Manna, Senjuti Halder, Gopal Das Crystal growth & design . 2018,第3期

机译：被困在卤化物内的冰循环水六角形包封的六偏美中性受体核心：局限于受体 - 阴离子囊组装内的水簇的第一晶证据
2. Influence of the cavity dimension on encapsulation of halides within the capsular assembly and side-cleft recognition of a sulfate-water cluster assisted by polyammonium tripodal receptors [J] . Manna Utsab, Nayak Biswajit, Hoque Md. Najbul, CrystEngComm . 2016,第26期

机译：腔体尺寸对卤化物在囊体组件中的包封的影响以及三脚架受体辅助的硫酸盐-水团簇的侧裂识别
3. Encapsulation of a discrete cyclic halide water tetramer [X_2(H_2O)_2]~(2-), X = CI~-/Br ~- within a dimeric capsular assembly of a tripodal amide receptor [J] . Arghya Basu, Gopal Das Chemical Communications . 2013,第38期

机译：三脚架酰胺受体的二聚体包封物中离散的环状卤化水四聚体[X_2（H_2O）_2]〜（2-）的包封，X = CI〜-/ Br〜-
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Ice-like Cyclic Water Hexamer Trapped within a Halide Encapsulated Hexameric Neutral Receptor Core: First Crystallographic Evidence of a Water Cluster Confined within a Receptor-Anion Capsular Assembly

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