Achieving enhanced ML or RTP performance: alkyl substituent effect on the fine-tuning of molecular packing,Materials Chemistry Frontiers

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Achieving enhanced ML or RTP performance: alkyl substituent effect on the fine-tuning of molecular packing
Materials Chemistry Frontiers ( IF 6.0 ) Pub Date : 2020-10-13 , DOI: 10.1039/d0qm00576b
Yun Yu _{1,

2,

3,

4,

5} , Yuanyuan Fan _{1,

2,

3,

4,

5} , Can Wang _{1,

2,

3,

4,

5} , Yao Wei _{1,

2,

3,

4,

5} , Qiuyan Liao _{1,

2,

3,

4,

5} , Qianqian Li _{1,

2,

3,

4,

5} , Zhen Li _{1,

2,

3,

4,

5}

Affiliation

Mechanoluminescence (ML) and room temperature phosphorescence (RTP) have generally been considered to be highly related to the molecular packing in the solid state; accordingly, the regulation of packing through molecular design is particularly important. Unlike most previous research, flexible alkyl substituents instead of aromatic substituents were utilized to fine-tune the molecular packing in this work. Really, just simply modifying different alkyl substituents on the aromatic core, the PIth–C derivatives exhibited regular changes in molecular packing accompanied by tunable ML/RTP properties. Among them, PIth–C3 and PIth–C4 displayed largely enhanced ML intensities, while PIth–C5 and PIth–C6 had much better RTP performance. The enhancement of ML and RTP could be ascribed to the effective suppression of nonradiation under different conditions, through distinct crystal packing modes and strong intermolecular interactions. This alkyl substituent effect reveals an effective strategy for the molecular design of ML and RTP luminogens, with deep understanding of the structure–packing–property relationship.

中文翻译：

实现增强的ML或RTP性能：烷基取代基对分子堆积的微调

通常认为机械发光（ML）和室温磷光（RTP）与固态分子堆积高度相关；因此，通过分子设计来调节填充特别重要。与大多数以前的研究不同，在这项工作中，使用柔性烷基取代基代替芳族取代基来微调分子堆积。实际上，仅通过修饰芳族核上的不同烷基取代基，PIth-C衍生物在分子堆积方面就表现出规律的变化，并具有可调节的ML / RTP特性。其中，PIth–C3和PIth–C4的ML强度大大增强，而PIth–C5和PIth–C6的RTP性能要好得多。ML和RTP的增强可以归因于在不同条件下对非辐射的有效抑制，通过独特的晶体堆积模式和强大的分子间相互作用。烷基取代基的作用揭示了ML和RTP发光剂分子设计的有效策略，并且对结构，装填和性质之间的关系有深入的了解。

更新日期：2020-12-10

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