Trapping of Octameric Water Cluster by the Neutral Unclosed Cryptand Environment

Kajetan D?browa; Magdalena Ceborska; Janusz Jurczak

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Trapping of Octameric Water Cluster by the Neutral Unclosed Cryptand Environment

机译：中性未封闭地穴环境诱捕八聚体水团

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Unclosed cryptands (UCs) are neutral and easily accessible compounds with precisely defined spatial arrangement of various functional groups. They readily form crystals with a unusually high packing efficiency (≥0.8), thus providing a well-suited 3Dframework for study of supramolecular assemblies. Herein, one example of the discrete eight-membered water cluster trapped in the matrix of UC 1 is presented. X-ray, ATR FT-IR, and DFT studies indicate extraordinary stability of this assembly, which originated from the cumulative interplay of many noncovalent interactions-hydrogen bonds and London dispersion forces.

机译：未封闭的cryptands（UCs）是中性的，容易获得的化合物，具有各种官能团的精确定义的空间排列。它们很容易形成具有异常高堆积效率（≥0.8）的晶体，从而为研究超分子组装提供了非常适合的3D框架。在此，提出了一个被困在UC 1矩阵中的离散的八元水簇的例子。 X射线，ATR FT-IR和DFT研究表明该组件具有非凡的稳定性，其源于许多非共价相互作用-氢键和伦敦分散力的累积相互作用。

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《Crystal growth & design》 |2014年第10期|共5页
作者
Kajetan D?browa; Magdalena Ceborska; Janusz Jurczak;
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原文格式 PDF
正文语种 eng
中图分类晶体学;
关键词
Octameric; Cluster; Environment;

机译：八聚体;簇;环境;

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1. Trapping of Octameric Water Cluster by the Neutral Unclosed Cryptand Environment [J] . Kajetan D?browa, Magdalena Ceborska, Janusz Jurczak Crystal growth & design . 2014,第10期

机译：中性未封闭地穴环境诱捕八聚体水团
2. 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

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3. Fixation of atmospheric CO2 as novel carbonate-(water)(2)-carbonate cluster and entrapment of double sulfate within a linear tetrameric barrel of a neutral bis-urea scaffold [J] . Manna Utsab, Kayal Santanu, Samanta Soham, Dalton transactions: An international journal of inorganic chemistry . 2017,第31期

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4. Using Self-Consistent Energy Surfaces to Calculate the Population Distributions of Neutral Clusters and Negatively Charged Clusters Consisting of Sulfuric Acid and Water [C] . Jamison A. Smith, Karl D. Froyd, Owen B. Toon International Conference on Nucleation and Atmospheric Aerosols . 2014

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5. Studies of potential energy surfaces of neutral, protonated, negatively charged water clusters. [D] . Choi, Tae Hoon. 2010

机译：研究中性，质子化，带负电荷的水簇的势能面。
6. One-Pot Parallel Synthesis of Unclosed Cryptands—Searchingfor Selective Anion Receptors via Static Combinatorial Chemistry Techniques [O] . Patryk Niedbała, Janusz Jurczak, * 2020

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7. One-Pot Parallel Synthesis of Unclosed Cryptands—Searching for Selective Anion Receptors via Static Combinatorial Chemistry Techniques [O] . Patryk Niedbała, Janusz Jurczak 2020

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8. Underground Stormwater Quality Detention BMP for Sediment Trapping in Ultra-Urban Environments: Final Results and Design Guidelines; Technical rept. (Sept. 2006 - Aug. 2007) [R] . Li, M. H., Desai, A. B. R., Barrett, M. E. 2008

机译：地下雨水质量滞留Bmp用于超城市环境中的沉积物捕集：最终结果和设计指南;技术部门。（2006年9月 - 2007年8月）

Trapping of Octameric Water Cluster by the Neutral Unclosed Cryptand Environment

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