Design of a D3h-symmetry prismatic tris-(ferrocene-1,1′-diyl) molecular cage bearing boronate ester linkages,Dalton Transactions

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Design of a D3h-symmetry prismatic tris-(ferrocene-1,1′-diyl) molecular cage bearing boronate ester linkages
Dalton Transactions ( IF 3.5 ) Pub Date : 2022-06-22 , DOI: 10.1039/d2dt01306a
Maurycy Krzyżanowski ₁ , Anna M Nowicka ₂ , Krzysztof Kazimierczuk ₃ , Krzysztof Durka ₁ , Sergiusz Luliński ₁ , Artur Kasprzak ₁

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This paper presents a simple, highly selective, and efficient (isolated yield of 68%) synthesis of a novel D_3h-symmetry prismatic tris-(ferrocene-1,1′-diyl) organic cage (FcB-cage) by incorporating a boronate ester as a linkage motif. 1,1′-Diboronated derivatives of ferrocene and 2,3,6,7,10,11-hexahydroxytriphenylene (HHTP) were used as the starting materials. The synthesized cage was comprehensively characterized by spectroscopic and microscopic methods, powder X-ray diffraction, thermogravimetry and voltammetry. Cyclic voltammetry analysis revealed the electronic communication between the ferrocene units of the FcB-cage. In addition, to better understand the mechanism behind the synthesis of such a cage, as well as its geometric properties, we performed DFT calculations.

中文翻译：

带有硼酸酯键的 D3h 对称棱柱三（二茂铁-1,1'-二基）分子笼的设计

本文介绍了一种简单、高选择性和高效（分离产率为 68%）的新型D _3h -对称棱柱三-(二茂铁-1,1'-二基) 有机笼 ( FcB-cage ) 合成方法，方法是掺入硼酸盐酯作为连接基序。以二茂铁和 2,3,6,7,10,11-六羟基苯并苯 ( HHTP ) 的 1,1'-二硼化衍生物为起始原料。采用光谱和显微方法、粉末X射线衍射、热重和伏安法对合成的笼子进行了综合表征。循环伏安分析揭示了FcB 笼的二茂铁单元之间的电子通信. 此外，为了更好地了解这种笼子合成背后的机制及其几何特性，我们进行了 DFT 计算。

更新日期：2022-06-22

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