在基基异构体中的超分子相互作用调制光发光
Hao-Wei Lin1,2, Yang-Peng Lin3, Dan-Dan Huang1,2
1College of Chemistry, Fuzhou University, Fuzhou 350108, P. R. China.
Inorganic chemistry
|November 1, 2023
概括
通过改变冷却条件,合成了两个同位素的化晶体,α (1) 和β (2). 由于更强的分子间相互作用,Crystal 2表现出增强的光发光,为设计发光化提供了洞察力.
科学领域:
- 材料科学 材料科学 材料科学
- 无机化学 无机化学
- 晶体学 晶体学是指结晶学.
背景情况:
- 离子化晶体因其光电子特性而受到探索.
- 定制晶体结构可以影响光发光 (PL) 特性.
- 了解结构属性关系对于材料设计至关重要.
研究的目的:
- 为了合成和描述两个同位体的化晶体,α-[OPy][InBr4(Phen) ] (1) 和β-[OPy][InBr4(Phen) ] (2).
- 研究不同冷却条件对晶体结构和超分子相互作用的影响.
- 为了将结构差异与光发光量子收益率 (PLQY) 相关联,并了解底层的光学过程.
主要方法:
- 具有控制的冷却速度的溶热合成.
- 单晶X射线衍射用于结构分析.
- 希尔什菲尔德表面分析以量化分子间相互作用.
- 光发光谱测量用于测量PLQY.
- 密度函数理论 (DFT) 计算用于电子结构分析.
主要成果:
- 通过调整冷却条件,成功分离了两个不同的异构体晶体,α (1) 和β (2).
- 晶体2表现出更强的键和π-π相互作用,导致与晶体1相比更紧的堆叠.
- 晶体2显示出比晶体1高10倍的PLQY,这归因于增强的超分子相互作用.
- DFT计算证实了从化核心向有机配体的电荷转移,解释了发光机制.
结论:
- 溶热合成中的冷却条件对于控制化晶体的异构结构和超分子组合至关重要.
- 在晶体2中增强的分子间相互作用显著提高了其光发光效率.
- 这项研究为设计新型,高度发光的基化物材料提供了有价值的结构-PL关系.
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