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Solvent-assisted planar structure of a stilbene-based salicylhydrazone compound: crystal structure, solvent- and aggregation-induced emission, and switchable luminescence colouration.
Acta Crystallographica Section C ( IF 0.8 ) Pub Date : 2020-07-06 , DOI: 10.1107/s2053229620008037
Zong Bin Fang 1 , Bin Zhang 1 , Qi Zheng Yang 1 , Wenxu Zheng 1 , Xiao Lin Hu 1 , Xi He Huang 1 , Chang Cang Huang 1 , Nai Feng Zhuang 1 , Shu Ting Wu 1
Affiliation  

A novel stilbene‐based salicylhydrazone compound {systematic name: (E)‐4,4′‐(ethene‐1,2‐diyl)bis[(NE)‐N′‐(2‐hydroxybenzylidene)benzohydrazide] dimethyl sulfoxide disolvate, C30H24N4O4·2C2H6OS or L·2DMSO} was synthesized and characterized by single‐crystal X‐ray diffraction, powder X‐ray diffraction and luminescence spectroscopy. The title compound crystallizes in the monoclinic space group P21/c, with half a symmetry‐independent L molecule and one dimethyl sulfoxide (DMSO) solvent molecule in the asymmetric unit. The L molecule adopts an almost planar structure, with a small dihedral angle between the planes of the stilbene and salicylhydrazone groups. There are multiple π–π stacking interactions between adjacent L molecules. The DMSO solvent molecules act as proton donors and acceptors, forming hydrogen bonds of various strengths with the L molecules. In addition, the geometry optimization of a single molecule of L and its luminescence properties either in solution, as a solvated solid or as a desolvated solid were studied. The compound shows an aggregation‐induced emission (AIE) effect and exhibits switchable luminescence colouration in the solid state by the simple removal or re‐addition of the DMSO solvent.

中文翻译:

二苯乙烯基水杨hydr化合物的溶剂辅助平面结构:晶体结构,溶剂和聚集诱导的发射以及可切换的发光着色。

一种新颖的茋类化合物salicylhydrazone {系统命名:(É)-4,4' - (乙烯-1,2-二基)双[(Ñ ' ë) - ñ ' - (2-羟基亚苄基)苯甲酰肼]二甲基亚砜二溶剂化物合成了C 30 H 24 N 4 O 4 ·2C 2 H 6 OS或L ·2DMSO},并通过单晶X射线衍射,粉末X射线衍射和发光光谱对其进行了表征。标题化合物在单斜空间群P 2 1 / c中结晶,一半对称于L分子和不对称单元中的一个二甲基亚砜(DMSO)溶剂分子。的大号分子采用一种几乎平面结构,具有茋和salicylhydrazone基团的平面之间的小二面角。相邻的L分子之间存在多个π–π堆积相互作用。DMSO溶剂分子充当质子供体和受体,与L分子形成各种强度的氢键。此外,单个L分子的几何优化并且研究了其在溶液中,作为溶剂化固体或作为去溶剂化固体的发光特性。通过简单地去除或重新添加DMSO溶剂,该化合物显示出聚集诱导发射(AIE)效果,并在固态下表现出可切换的发光色。
更新日期:2020-07-06
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