Formation of an Amine-Water Cyclic Pentamer: A New Type of Water Cluster in a Polyazacryptand

Saeed MA; Wong BM; Fronczek FR; Venkatraman R; Hossain MA

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Formation of an Amine-Water Cyclic Pentamer: A New Type of Water Cluster in a Polyazacryptand

机译：胺-水循环五聚体的形成：一种新型的多氮杂水簇。

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Structural analysis of an adduct of a thiophene-based cryptand with tosylic acid shows the formation of a hybrid amine-water cyclic pentamer composed of four water molecules and one protonated amine in the charged hydrophobic cavity. The bulky tosylate groups remain outside the cavity, making the ligand favorable for hosting water molecules. Ab initio calculations based on density functional theory (DFT) confirm that the hybrid amine-water pentamer is stabilized inside the hydrophobic cavity of the cryptand.

机译：对基于噻吩的穴状配体与甲苯磺酸加合物的结构分析表明，在带电的疏水腔中形成了由四个水分子和一个质子化胺组成的杂化胺-水环状五聚体。庞大的甲苯磺酸酯基团保留在空腔外部，使配体有利于容纳水分子。从头算基于密度泛函理论（DFT）的计算证实，杂胺-水五聚体稳定在穴状分子的疏水腔内部。

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来源
《Crystal growth & design》 |2010年第4期|共3页
作者
Saeed MA; Wong BM; Fronczek FR; Venkatraman R; Hossain MA;
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原文格式 PDF
正文语种 eng
中图分类晶体学;
关键词
Pentamer; Formation; molecular;

机译：五聚体;形成;分子;

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1. Formation of an Amine-Water Cyclic Pentamer: A New Type of Water Cluster in a Polyazacryptand [J] . Saeed MA, Wong BM, Fronczek FR, Crystal growth & design . 2010,第4期

机译：胺-水循环五聚体的形成：一种新型的多氮杂水簇。
2. Decameric Water Clusters Shaped as Two Parallel Cyclic Pentamers with Staggered Conformation Stabilize Supramolecularly Bonded Infinite Chains of H_2PO_4~- Ions [J] . Sujit K.Ghosh, Parimal K.Bharadwaj European journal of inorganic chemistry . 2006,第7期

机译：十聚体水簇形为两个具有交错构型的平行环状五聚体，稳定了H_2PO_4〜-离子的超分子键合无限链
3. Counter cation Al3+ assisting formation of a 2D water sheet that contains both cyclic water hexamers in boat and chair conformations and cyclic water tetramers in an Anderson-type polyoxometalate [Al(H2O)(6)][Al(OH)(6)Mo6O18]center dot 10H(2)O [J] . Zhou Yunshan, Yin Jianbo, Zhang Lijuan Journal of Molecular Structure . 2009,第1a3期

机译：抗衡离子Al3 +有助于形成二维水面，其中包含船和椅构造中的环状水六聚体和安德森型多金属氧酸盐[Al（H2O）（6）] [Al（OH）（6）Mo6O18]中的环状水四聚体。中心点10H（2）O
4. Cyclic Deformation Behavior Of Type 316ln Stainless Steel Under Low Cycle Fatigue Loading In 310°C Low Oxygen Water [C] . . 2005

机译：316ln不锈钢在310°C低氧水中低循环疲劳载荷下的循环变形行为
5. The B pentamer of LT-IIa, a type II heat-labile enterotoxin of Escherichia coli enhances dendritic cell functions. [D] . Lee, Chang Hoon. 2011

机译：LT-IIa的B五聚体（大肠杆菌的II型不耐热肠毒素）可增强树突状细胞的功能。
6. Formation of an Amine-Water Cyclic Pentamer: A New Type of Water Cluster in a Polyazacryptand [O] . Musabbir A. Saeed, Bryan M. Wong, Frank R. Fronczek, -1

机译：在polyazacryptand分子团水的新类型：胺水环五聚体的形成
7. Formation of a new type of uranium(iv) poly-oxo cluster {U38} based on a controlled release of water via esterification reaction [O] . Nicolas P. Martin, Christophe Volkringer, Natacha Henry, 2018

机译：基于通过酯化反应的受控释放的水，形成新型铀（IV）聚 - 氧代簇{U38}

Formation of an Amine-Water Cyclic Pentamer: A New Type of Water Cluster in a Polyazacryptand

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