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首页> 外文期刊>Chemistry: A European journal >Light-Controlled Reversible Modulation of Frontier Molecular Orbital Energy Levels in Trifluoromethylated Diarylethenes
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Light-Controlled Reversible Modulation of Frontier Molecular Orbital Energy Levels in Trifluoromethylated Diarylethenes

机译：三氟甲基化二芳基亚甲烯酮中前者分子轨道能量水平的光控可逆调节

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摘要

Among bistable photochromic molecules, diarylethenes (DAEs) possess the distinct feature that upon photoisomerization they undergo a large modulation of their π-electronic system, accompanied by a marked shift of the HOMO/LUMO energies and hence oxidation/reduction potentials. The electronic modulation can be utilized to remote-control charge- as well as energy-transfer processes and it can be transduced to functional entities adjacent to the DAE core, thereby regulating their properties. In order to exploit such photoswitchable systems it is important to precisely adjust the absolute position of their HOMO and LUMO levels and to maximize the extent of the photoinduced shifts of these energy levels. Here, we present a comprehensive study detailing how variation of the substitution pattern of DAE compounds, in particular using strongly electron-accepting and chemically stable trifluoromethyl groups either in the periphery or at the reactive carbon atoms, allows for the precise tuning of frontier molecular orbital levels over a broad energy range and the generation of photoinduced shifts of more than 1 eV. Furthermore, the effect of different DAE architectures on the transduction of these shifts to an adjacent functional group is discussed. Whereas substitution in the periphery of the DAE motif has only minor implications on the photochemistry, trifluoromethylation at the reactive carbon atoms strongly disturbs the isomerization efficiency. However, this can be overcome by using a nonsymmetrical substitution pattern or by combination with donor groups, rendering the resulting photoswitches attractive candidates for the construction of remote-controlled functional systems.
机译：在双稳态光致变色分子中，二芳基（Daes）具有不同的特征，即在光偏见时，它们经历了大量调制它们的π电子系统，伴随着同型/疏松能量的标记偏移，因此氧化/减少电位。电子调制可用于远程控制电荷以及能量转移过程，并且可以被转导到与DAE芯相邻的功能实体，从而调节它们的性质。为了利用这样的光学系统，重要的是精确调整其同性恋和少灯水平的绝对位置，并最大限度地提高这些能量水平的光引的偏移程度。在这里，我们提出了一种综合研究，详细介绍了DAE化合物的替代模式的变化，特别是在外围或反应性碳原子中使用强电子接受和化学稳定的三氟甲基，允许正面分子轨道的精确调谐在广泛的能量范围内的水平和发射超过1eV的光误差。此外，讨论了不同DAE架构对这些转移转换到相邻官能团的转换的影响。虽然DAE基序的周边的替代物仅对光化学的微小意义，反应性碳原子处的三氟甲基化强烈地扰动异构化效率。然而，通过使用非对称替代图案或与供体组的组合可以克服这一点，使得到的PhotoWitches有吸引力的候选人来构建遥控功能系统。

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  • 来源
    《Chemistry: A European journal》 |2017年第15期|共12页
  • 作者

    Martin Herder; Fabian Eisenreich; Aurelio Bonasera; Anna Grafl; Lutz Grubert; Michael P?tzel; Jutta Schwarz; Stefan Hecht;

  • 作者单位

    Department of Chemistry and IRIS Adlershof Humboldt-Universit?t zu Berlin Brook-Taylor-Str. 2 12489 Berlin (Germany);

    Department of Chemistry and IRIS Adlershof Humboldt-Universit?t zu Berlin Brook-Taylor-Str. 2 12489 Berlin (Germany);

    Department of Chemistry and IRIS Adlershof Humboldt-Universit?t zu Berlin Brook-Taylor-Str. 2 12489 Berlin (Germany);

    Department of Chemistry and IRIS Adlershof Humboldt-Universit?t zu Berlin Brook-Taylor-Str. 2 12489 Berlin (Germany);

    Department of Chemistry and IRIS Adlershof Humboldt-Universit?t zu Berlin Brook-Taylor-Str. 2 12489 Berlin (Germany);

    Department of Chemistry and IRIS Adlershof Humboldt-Universit?t zu Berlin Brook-Taylor-Str. 2 12489 Berlin (Germany);

    Department of Chemistry and IRIS Adlershof Humboldt-Universit?t zu Berlin Brook-Taylor-Str. 2 12489 Berlin (Germany);

    Department of Chemistry and IRIS Adlershof Humboldt-Universit?t zu Berlin Brook-Taylor-Str. 2 12489 Berlin (Germany);

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  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类 应用化学;
  • 关键词

    cyclic voltammetry; diarylethenes; frontier molecular orbital energies; photochromism; quantum yields;

    机译：循环伏安法;二芳基金;前沿分子轨道能量;光学变色;量子产量;

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