有机微晶体中分子内张力驱动的自恢复机制变色

IF 7.4 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY
Weihan Guo, Hua Zhao, Mingda Wang, Leilei Si, Kaixin Yang, Guomin Xia and Hongming Wang
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引用次数: 0

摘要

自恢复机械致色荧光(MCF)晶体材料,不需要额外的处理循环使用,具有重要的实际应用价值。然而,由于微晶的断裂和无序,探索这些材料的设计原理仍然具有挑战性。在这项研究中,我们提出了一种扭曲分子Np-H,它在其多晶形式Np-H-1和Np-H-2中表现出不同速率的自我恢复MCF行为,从而首次揭示了分子内张力的关键作用。单晶x射线衍射分析和理论计算表明,与Np-H-2相比,由于扭转角较小,Np-H-1在机械刺激下表现出更大的分子内张力和增强的固有振动,从而导致更快的自恢复速率。此外,由外周甲基或插入苯基组成的对应物进一步证明了分子内张力与MCF自恢复行为之间的关键关系。值得注意的是,Np-H-1微晶具有明亮的发光特性,研磨后20分钟即可自恢复,重复性好,可用于变色龙绘画油墨和乒乓球边球检测。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Intramolecular tension-driven self-recovering mechanochromism in organic microcrystals†

Intramolecular tension-driven self-recovering mechanochromism in organic microcrystals†

Self-recovering mechanochromic fluorescent (MCF) crystalline materials, requiring no extra treatment for cyclic use, are highly significant for practical applications. However, exploring design principles for these materials remains challenging due to the fracture and disorder of microcrystals. In this study, we present a twisted molecule, Np-H, which exhibits varying rates of self-recovering MCF behavior in its polycrystalline forms, Np-H-1 and Np-H-2, thereby revealing for the first time the crucial effect of intramolecular tension. Single-crystal X-ray diffraction analysis and theoretical calculations reveal that Np-H-1, with smaller torsional angles, exhibits a greater increase in intramolecular tension and enhanced intrinsic vibrations in response to mechanical stimuli, resulting in an accelerated self-recovery rate as compared to Np-H-2. Moreover, the counterparts composed of peripheral methyl or interposed phenyl provide further evidence to the pivotal relationship between intramolecular tension and self-recovering MCF behavior. Notably, Np-H-1 microcrystals exhibit bright emission and can self-recover within 20 minutes after grinding with easy repeatability, enabling the application of chameleon painting inks and edge-ball detection in table tennis.

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来源期刊
Chemical Science
Chemical Science CHEMISTRY, MULTIDISCIPLINARY-
CiteScore
14.40
自引率
4.80%
发文量
1352
审稿时长
2.1 months
期刊介绍: Chemical Science is a journal that encompasses various disciplines within the chemical sciences. Its scope includes publishing ground-breaking research with significant implications for its respective field, as well as appealing to a wider audience in related areas. To be considered for publication, articles must showcase innovative and original advances in their field of study and be presented in a manner that is understandable to scientists from diverse backgrounds. However, the journal generally does not publish highly specialized research.
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