Halogen-substituted triphenylamine derivatives with intense mechanoluminescence properties†,Journal of Materials Chemistry C

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Halogen-substituted triphenylamine derivatives with intense mechanoluminescence properties†
Journal of Materials Chemistry C ( IF 5.7 ) Pub Date : 2019-09-02 , DOI: 10.1039/c9tc03515j
Jin Tu _{1,

2,

3,

4} , Yunhao Fan _{1,

2,

3,

4} , Jiaqiang Wang _{1,

2,

3,

4} , Xiaoyu Li _{1,

2,

3,

4} , Fan Liu _{1,

2,

3,

4} , Mengmeng Han _{1,

2,

3,

4} , Can Wang _{1,

2,

3,

4} , Qianqian Li _{1,

2,

3,

4} , Zhen Li _{1,

2,

3,

4,

5}

Affiliation

Three triphenylamine (TPA) derivatives, constructed by the introduction of halogen atoms in TPA, show strong mechanoluminescence emissions, partially due to their various electronic configurations by virtue of the electron withdrawing ability of halogen atoms. Careful investigation of their single crystals and the density functional theory (DFT) calculations based on the crystal structure demonstrate that the enhanced intermolecular interactions and the twisted molecular structure contribute to their strong ML emission.

中文翻译：

具有强烈的机械发光特性的卤素取代的三苯胺衍生物†

通过在TPA中引入卤素原子构造的三种三苯胺（TPA）衍生物显示出很强的机械发光，部分是由于卤素原子具有吸电子能力，因此它们具有各种电子构型。仔细研究它们的单晶和基于晶体结构的密度泛函理论（DFT）计算表明，增强的分子间相互作用和扭曲的分子结构有助于其强大的ML发射。

更新日期：2019-10-12

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