对于有机共晶体的双转子策略,具有增强的近红外光热转换
Xinyi Wen1, Yixin Shao1, Ye-Tao Chen1
1College of Chemistry and Chemical Engineering, Key Laboratory for Preparation and Application of Ordered Structural Materials of Guangdong Province, Shantou University Shantou 515063 China chenxl@stu.edu.cn.
RSC advances
|February 5, 2024
概括
有机共晶工程增强近红外光吸收和光热转换使用双旋转器策略. 这种方法通过控制高级应用的分子旋转来提高效率.
科学领域:
- 材料科学 材料科学 材料科学
- 有机化学 有机化学
- 光物理学的光学物理学
背景情况:
- 有机共晶工程为增强小分子的光采集和光热转换 (PTC) 提供了一条途径.
- 有机分子中的可旋转组 ("转子") 可以促进非辐射过渡,影响激发状态动态.
研究的目的:
- 开发一种单/双键双旋转器战略,用于构建捐赠/接受 (D/A) 联合晶体.
- 调查旋翼组和F替代剂对NIR吸收和PTC效率的影响.
主要方法:
- 使用单/双键双旋转器策略的晶合成.
- 光谱分析包括超宽带吸收测量.
- 五秒短暂吸收 (fs-TA) 光谱学研究兴奋状态动态.
主要成果:
- 由于强大的 π-π 堆叠和电荷转移相互作用,工程共晶显示了从 300 nm 到 2000 nm 的超宽带吸收.
- 在1064nm (NIR-II区域) 的光热转换效率通过优化旋转器组和F替代剂显著提高.
- fs-TA光谱学揭示了非辐射衰变,由旋转器动力学在激发状态驱动,是增强PTC性能的基础.
结论:
- 单/双键双转子策略是有效的设计有机共晶与优越的NIR光收获和光热转换能力.
- 调节旋转机组动力学提供了一个可调节的机制,以优化特定NIR区域的PTC效率.
- 这项工作提供了一个有前途的方法,用于通过cocrystal工程来功能化小型有机分子,用于先进的应用.
相关概念视频
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Electrocyclic reactions are reversible reactions. They involve an intramolecular cyclization or ring-opening of a conjugated polyene. Shown below are two examples of electrocyclic reactions. In the first reaction, the formation of the cyclic product is favored. In contrast, in the second reaction, ring-opening is favored due to the high ring strain associated with cyclobutene formation.
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01:26Photochemical Electrocyclic Reactions: Stereochemistry
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The absorption of UV–visible light by conjugated systems causes the promotion of an electron from the ground state to the excited state. Consequently, photochemical electrocyclic reactions proceed via the excited-state HOMO rather than the ground-state HOMO. Since the ground- and excited-state HOMOs have different symmetries, the stereochemical outcome of electrocyclic reactions depends on the mode of activation; i.e., thermal or photochemical.
Selection Rules: Photochemical Activation
Selection Rules: Photochemical Activation
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01:17Thermal Electrocyclic Reactions: Stereochemistry
2.0K
The stereochemistry of electrocyclic reactions is strongly influenced by the orbital symmetry of the polyene HOMO. Under thermal conditions, the reaction proceeds via the ground-state HOMO.
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Conjugated systems containing an even number of π-electron pairs undergo a conrotatory ring closure. For example, thermal electrocyclization of (2E,4E)-2,4-hexadiene, a conjugated diene containing two π-electron pairs, gives trans-3,4-dimethylcyclobutene.
Selection Rules: Thermal Activation
Conjugated systems containing an even number of π-electron pairs undergo a conrotatory ring closure. For example, thermal electrocyclization of (2E,4E)-2,4-hexadiene, a conjugated diene containing two π-electron pairs, gives trans-3,4-dimethylcyclobutene.
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01:12Cycloaddition Reactions: MO Requirements for Photochemical Activation
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Some cycloaddition reactions are activated by heat, while others are initiated by light. For example, a [2 + 2] cycloaddition between two ethylene molecules occurs only in the presence of light. It is photochemically allowed but thermally forbidden.
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