A Bis-calix[4]pyrrole Enzyme Mimic That Constrains Two Oxoanions in Close Proximity,Journal of the American Chemical Society

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A Bis-calix[4]pyrrole Enzyme Mimic That Constrains Two Oxoanions in Close Proximity
Journal of the American Chemical Society ( IF 14.4 ) Pub Date : 2017-05-11 00:00:00 , DOI: 10.1021/jacs.7b02329
Qing He ₁ , Michael Kelliher ₁ , Steffen Bähring _{1,

2} , Vincent M. Lynch ₁ , Jonathan L. Sessler ₁

Affiliation

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 ¹H NMR and UV–vis spectroscopies and ITC titrations carried out in CD₂Cl₂/CD₃OD (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 ¹H NMR and UV–vis spectroscopies, ITC studies, and single crystal X-ray diffraction analyses.

中文翻译：

Bis-calix [4]吡咯酶模拟物，以接近方式约束两个氧阴离子。

在这里，我们描述了一个大的胶囊状双杯[4]吡咯1，它能够在相对较大的内部空腔中同时容纳两个磷酸二氢根阴离子。同时进行双重识别的证据来自¹ H NMR和UV-vis光谱学以及在CD ₂ Cl ₂ / CD ₃ OD（9/1，v / v）或二氯乙烷（DCE）中进行的ITC滴定，以及单晶X射线衍射分析。还发现受体1以固态结合了两个由两个水分子桥接的双阴离子硫酸根阴离子。光谱分析表明，所得的硫酸盐二聚体保留在DCE溶液中。最后，受体1被发现能够在空腔中容纳两个三阴离子焦磷酸根阴离子。DFT计算以及¹ H NMR和UV-vis光谱，ITC研究以及单晶X射线衍射分析为当前的实验结果提供了支持。

更新日期：2017-05-18

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