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在基于循环的多反氧系统中的分子内电子转移 [3]Spirobifluorenylene化合物

Tomoya Imai¹, Daisuke Sakamaki², Shinobu Aoyagi¹

¹Department of Information and Basic Science, Graduate School of Science, Nagoya City University, 1 Yamanohata, Mizuho-cho, Mizuho-ku, Nagoya, Aichi, 467-8501, Japan.

Chemistry (Weinheim an der Bergstrasse, Germany)

|September 23, 2023

概括

这项研究合成了一种新型的spirobifluorenylene分子,以探索直角 π 结合系统中的电子转移. 螺旋结合促进了高效的分子内部电子转移,显示了分子电线应用的前景.

科学领域:

有机化学有机化学
材料科学材料科学材料科学
物理化学物理化学

背景情况:

研究π合系统中的电子转移对于开发先进的分子材料至关重要.
直角的π-结合链为电荷运输带来了独特的挑战和机遇.

研究的目的:

设计和合成一个循环 [3]spirobifluorenylene分子与重的基团.
研究与直角链的π-结合系统中的分子内电子转移现象.

主要方法:

合成循环的 [3]spirobifluorenylene (1). (1) 的合成.
使用吸收和光光谱学,电化学分析,TD-DFT计算,NTO计算和ESR光谱学进行表征.
使用SbCl5.5进行化学氧化.

主要成果:

螺旋结合导致HOMO水平的分裂和一个小的SOMO-HOMO间隙,促进了分子内电子转移.
电化学氧化揭示了链际库伦比反射.
TD-DFT和NTO计算可视化了几何特征的链间电子转换.
超过2000nm的NIR吸收带归因于分子内电子转移.
通过洞跳跃,ESR实验证实了旋转移位.

结论:

螺旋合是有效的桥梁直角的π-合单位.
这种方法促进了顺的分子内部电子转移,证明了分子电线应用的潜力.

关键词:

竞技场竞技场竞技场电子转移是电子的转移.宏观循环是一个宏观循环.再氧化化学还原化学螺旋化合物是螺旋化合物中的一种.

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