Conformational investigations on three large dinuclear triple helicates by single crystal X-ray diffraction

IF 2.3 4区化学 Q2 Agricultural and Biological Sciences Journal of Inclusion Phenomena and Macrocyclic Chemistry Pub Date : 2024-03-21 DOI:10.1007/s10847-024-01235-3

Kyle J. Howard-Smith, Matthew J. Wallis, James P. Flood, Hyunsung Min, Joseph C. Tadros, Ruoming Tian, Mohan M. Bhadbhade, Christopher E. Marjo, Feng Li

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Abstract

Three new dinuclear triple helicates were synthesised using a ditopic semi-rigid pyridylylimine ligand L, separated by a diphenoxy-biphenol spacer providing considerable length to the backbone. L and the new large dinuclear triple helicate complexes [Fe₂L₃](BF₄)₄ (1), [Ni₂L₃](BF₄)₄ (2) and [Zn₂L₃](BF₄)₄ (3) have been characterised in solution and solid state. Single crystal X-ray diffraction was used to investigate overall complex ion shape as the coordination sphere was modulated by metal ion selection. Small differences in complex shape were seen to arise due to subtle distortions in coordination sphere environments. This study sheds light on how the length and twist of dinuclear triple helicates can be tuned by selection of coordinating metal ion.

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通过单晶 X 射线衍射对三种大型双核三螺旋体的构象研究

我们利用二位半刚性吡啶亚胺配体 L 合成了三种新的双核三螺旋体，配体之间有一个二苯氧基联苯酚间隔，为骨架提供了相当长的长度。我们对 L 和新的大型双核三螺旋配合物 [Fe2L3](BF4)4 (1)、[Ni2L3](BF4)4 (2) 和 [Zn2L3](BF4)4 (3) 进行了溶液和固态表征。利用单晶 X 射线衍射法研究了配位球受金属离子选择调节时的整个复合物离子形状。研究发现，配位球环境的微妙变形导致了复合物形状的细微差别。这项研究揭示了如何通过选择配位金属离子来调整二核三螺旋体的长度和扭曲。

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来源期刊

Journal of Inclusion Phenomena and Macrocyclic Chemistry 化学-化学综合

CiteScore

3.30

自引率

8.70%

发文量

审稿时长

3-8 weeks

期刊介绍： The Journal of Inclusion Phenomena and Macrocyclic Chemistry is the premier interdisciplinary publication reporting on original research into all aspects of host-guest systems. Examples of specific areas of interest are: the preparation and characterization of new hosts and new host-guest systems, especially those involving macrocyclic ligands; crystallographic, spectroscopic, thermodynamic and theoretical studies; applications in chromatography and inclusion polymerization; enzyme modelling; molecular recognition and catalysis by inclusion compounds; intercalates in biological and non-biological systems, cyclodextrin complexes and their applications in the agriculture, flavoring, food and pharmaceutical industries; synthesis, characterization and applications of zeolites. The journal publishes primarily reports of original research and preliminary communications, provided the latter represent a significant advance in the understanding of inclusion science. Critical reviews dealing with recent advances in the field are a periodic feature of the journal.