多孔镥（III）反式噻吩-2,5-二羧酸镥-反式肉桂醛包合物的晶体结构

IF 1.2 4区化学 Q4 CHEMISTRY, INORGANIC & NUCLEAR

Journal of Structural Chemistry Pub Date : 2025-05-07 DOI:10.1134/S002247662504002X

P. A. Demakov, T. S. Sukhikh, V. P. Fedin

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引用次数: 0

摘要

采用单晶XRD、IR、CHN和TGA等方法对一种新型肉桂醛（cin）包合物进行了表征，该包合物基于多孔lutetium（III）反式噻吩-2,5-二羧酸盐（ttdc2 -）金属有机骨架。在母体MOF [Lu2(H2O)2(ttdc)3]·2DMF·cin （1cin）的基础上，通过缓慢的固液交换得到了[Lu2(H2O)2(ttdc)3]·4DMF （1DMF）的标题晶体结构。肉桂分子与配位水分子的H原子成氢键，在刚性配位网络结构中被很好地分解。在晶体结构中的邻近客体分子之间发现了共面丙烯碎片之间紧密的π⋯π堆叠接触，能够进行可能的[2+2]环加成反应，并且对于肉桂包合化合物来说是不寻常的。

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Crystal Structure of Inclusion Compound of Porous Lutetium(III) trans-Thienothiophene-2,5-Dicarboxylate with trans-Cinnamaldehyde

A new inclusion compound of cinnamic aldehyde (cin) based on porous lutetium(III) trans-thienothiophene-2,5-dicarboxylate (ttdc^2–) metal-organic framework was characterized by means of single-crystal XRD, IR, CHN and TGA methods. The title crystal structure with the formula [Lu₂(H₂O)₂ (ttdc)₃]·2DMF·cin (1_cin) was derived from the parent MOF [Lu₂(H₂O)₂(ttdc)₃]·4DMF (1_DMF) upon slow solid-to-liquid solvent exchange. Cinnamal molecules, well-resolved within the structure of rigid coordination network, are hydrogen-bonded to the H atom of coordinated water molecule. Close π⋯π-stacking contacts between the coplanar propene fragments, capable for possible [2+2] cycloaddition reactions, and unusual for cinnamal inclusion compounds, were found between the neighbor guest molecules in the crystal structure.

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来源期刊

Journal of Structural Chemistry 化学-无机化学与核化学

CiteScore

1.60

自引率

12.50%

发文量

142

审稿时长

8.3 months

期刊介绍： Journal is an interdisciplinary publication covering all aspects of structural chemistry, including the theory of molecular structure and chemical bond; the use of physical methods to study the electronic and spatial structure of chemical species; structural features of liquids, solutions, surfaces, supramolecular systems, nano- and solid materials; and the crystal structure of solids.