一种双杯[4]吡咯酶模拟物，可将两个氧阴离子紧密约束在一起。
A Bis-calix[4]pyrrole Enzyme Mimic That Constrains Two Oxoanions in Close Proximity.
机构信息
Department of Chemistry, The University of Texas at Austin , 105 East 24th Street-A5300, Austin, Texas 78712-1224, United States.
Department of Physics, Chemistry, and Pharmacy, University of Southern Denmark , Campusvej 55, 5230 Odense M, Denmark.
出版信息
J Am Chem Soc. 2017 May 31;139(21):7140-7143. doi: 10.1021/jacs.7b02329. Epub 2017 May 17.
Herein we describe a large capsule-like bis-calix[4]pyrrole 1, which is able to host concurrently two dihydrogen phosphate anions within a relatively large internal cavity. Evidence for the concurrent, dual recognition of the encapsulated anions came from H NMR and UV-vis spectroscopies and ITC titrations carried out in CDCl/CDOD (9/1, v/v) or dichloroethane (DCE), as well as single crystal X-ray diffraction analyses. Receptor 1 was also found to bind two dianionic sulfate anions bridged by two water molecules in the solid state. The resulting sulfate dimer was retained in DCE solution, as evidenced by spectroscopic analyses. Finally, receptor 1 was found capable of accommodating two trianionic pyrophosphate anions in the cavity. The present experimental findings are supported by DFT calculations along with H NMR and UV-vis spectroscopies, ITC studies, and single crystal X-ray diffraction analyses.
在此，我们描述了一个大型胶囊状双杯[4]吡咯 1，它能够在相对较大的内部空腔中同时容纳两个二氢磷酸盐阴离子。来自于在 CDCl/CDOD (9/1, v/v) 或二氯乙烷 (DCE) 中进行的 H NMR 和 UV-vis 光谱以及 ITC 滴定，以及单晶 X 射线衍射分析的证据表明，被包封的阴离子可以同时被双重识别。受体 1 在固态中还被发现能够结合两个由两个水分子桥接的二价硫酸根阴离子。通过光谱分析证明，所得的硫酸二聚体保留在 DCE 溶液中。最后，受体 1 被发现能够在空腔中容纳两个三价焦磷酸根阴离子。目前的实验结果得到了 DFT 计算以及 H NMR 和 UV-vis 光谱、ITC 研究和单晶 X 射线衍射分析的支持。
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