Abstract

Single crystals of two new inclusion compounds based on porous europium(III) trans-thienothiophenedicarboxylate are obtained by norbornadiene or trans-cinnamyl alcohol substitution for N,N-dimethylformamide (DMF). Their structures and compositions are determined by the single crystal X-ray diffraction analysis. The structure of [Eu₂(DMF)₄(ttdc)₃]·3.3nbd ·1.2H₂O (H₂ttdc - trans-thienothiophenedicarboxylic acid; nbd - norbornadiene) contains directly localized nbd guest molecules. The π–π stacking interactions are found between the double bonds of norbornadiene and the heterocyclic core of the bridging ligand. The [Eu₂(H₂O)₂(cinol)₂(ttdc)₃]·cinol compound contains both coordinated and guest molecules of cinnamyl alcohol (cinol). The strongest guest - host contacts without significant stacking interactions appear to be hydrogen bonds between coordinated water molecules and alcohol OH groups.

中文翻译：

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基于多孔反式噻吩并噻吩二甲酸铕(III)与降冰片二烯和反式肉桂醇包合物的晶体结构

摘要

通过降冰片二烯或反式肉桂醇取代N,N-二甲基甲酰胺(DMF)，获得了两种基于多孔反式噻吩并噻吩二甲酸铕(III)新型包合物的单晶。它们的结构和组成通过单晶X射线衍射分析确定。_{[Eu 2} (DMF) ₄ (ttdc) ₃ ]·3.3nbd·1.2H ₂ O（H ₂ ttdc -反式噻吩并噻吩二甲酸；nbd - 降冰片二烯）的结构包含直接定域的nbd客体分子。在降冰片二烯的双键和桥连配体的杂环核心之间发现了 π-π 堆积相互作用。[Eu ₂ (H ₂ O) ₂ (cinol) ₂ (ttdc) ₃ ]·cinol化合物含有肉桂醇(cinol)的配位分子和客体分子。没有显着堆积相互作用的最强的客体-主体接触似乎是配位的水分子和醇OH基团之间的氢键。