This study was aimed at investigating the effect of electron donor and acceptor groups on electrical and optical properties of pi-conjugated [26] annulene. The results of the study showed that almost all selected substitutions reduced the value of $$E_{\mathrm{g}}$$ E g compared with pristine annulene. Calculated dipole moments for the sandwiched forms of annulene are noticeably greater than those of its pristine form, of which the ED2–ANN–QB2 had the maximum value for dipole moment. It was found that the influence of electron donor and acceptor groups on annulene optical properties is very significant. More optical activity improvement was seen in the case of using QB2 and QB3 in one side and other electron donor groups in opposite side of [26] annulene molecule. The higher optical activity of these sandwiched molecules corresponds to higher electron transfer in them. The results of this research may be useful in designing new photosensitizers.

中文翻译：

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通过电子供体和受体基团调节 [26] 环烯的电子和光学性质（推挽系统）

本研究旨在研究电子供体和受体基团对 pi 共轭 [26] 环烯的电学和光学性质的影响。研究结果表明，与原始环烯相比，几乎所有选定的取代都降低了 $$E_{\mathrm{g}}$$E g 的值。计算出的夹层形式的环烯的偶极矩明显大于其原始形式的偶极矩，其中 ED2-ANN-QB2 具有偶极矩的最大值。发现电子供体和受体基团对环烯光学性质的影响非常显着。在 [26] 环烯分子的一侧使用 QB2 和 QB3 而其他电子供体基团使用的情况下，可以看到更多的光学活性提高。这些夹层分子的较高光学活性对应于它们中较高的电子转移。这项研究的结果可能有助于设计新的光敏剂。