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邻二醇之间的对称识别基序:乙二醇二聚体中的四重抓握

A Symmetric Recognition Motif between Vicinal Diols: The Fourfold Grip in Ethylene Glycol Dimer.

作者信息

Kollipost Franz, Otto Katharina E, Suhm Martin A

机构信息

Institut für Physikalische Chemie, Georg-August-Universität Göttingen, Tammannstr. 6, 37077, Göttingen, Germany.

出版信息

Angew Chem Int Ed Engl. 2016 Mar 24;55(14):4591-5. doi: 10.1002/anie.201600603. Epub 2016 Mar 1.

DOI:10.1002/anie.201600603
PMID:26929113
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC5069640/
Abstract

Ethylene glycol has a transiently chiral, asymmetric global minimum structure, but it favors a highly symmetric, achiral dimer arrangement which has not been considered or found in previous quantum-chemical studies. Complementary FTIR and Raman spectroscopy in supersonic jets allows for the detection and straightforward assignment of this four-fold hydrogen-bonded dimer, which introduces an interesting supramolecular binding motif for vicinal diols and provides a strong case for transient chirality synchronization.

摘要

乙二醇具有一种瞬态手性、不对称的全局最小结构,但它倾向于一种高度对称的非手性二聚体排列,这种排列在以前的量子化学研究中尚未被考虑或发现。超声速射流中的互补傅里叶变换红外光谱和拉曼光谱能够检测并直接确定这种四重氢键二聚体,它为邻二醇引入了一种有趣的超分子结合基序,并为瞬态手性同步提供了有力例证。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/47a2/5069640/63396b47add6/ANIE-55-4591-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/47a2/5069640/74ce52600370/ANIE-55-4591-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/47a2/5069640/63396b47add6/ANIE-55-4591-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/47a2/5069640/74ce52600370/ANIE-55-4591-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/47a2/5069640/63396b47add6/ANIE-55-4591-g002.jpg

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Communication: Towards the binding energy and vibrational red shift of the simplest organic hydrogen bond: harmonic constraints for methanol dimer.
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Ethylene glycol revisited: Molecular dynamics simulations and visualization of the liquid and its hydrogen-bond network.再探乙二醇:液体及其氢键网络的分子动力学模拟与可视化
手性 2R,3R-丁二醇团簇的成像光电子-光离子符合研究。
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Hydrogen Bonding and Dielectric Spectra of Ethylene Glycol-Water Mixtures from Molecular Dynamics Simulations.基于分子动力学模拟的乙二醇-水混合物的氢键与介电谱
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The Raman spectrum of isolated water clusters.孤立水团簇的拉曼光谱。
Phys Chem Chem Phys. 2014 Jun 7;16(21):9849-58. doi: 10.1039/c3cp54272f. Epub 2014 Jan 7.
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