Dissymmetric Bay-Functionalized Perylenediimides,Synlett

当前位置： X-MOL 学术 › Synlett › 论文详情

Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)

Dissymmetric Bay-Functionalized Perylenediimides
Synlett ( IF 1.7 ) Pub Date : 2018-06-20 , DOI: 10.1055/s-0037-1610186
Prabhpreet Singh ₁ , Kapil Kumar ₁ , Gaurav Bhargava ₂ , Subodh Kumar ₁

Affiliation

We report the synthesis of perylenediimide (PDI)-based donor–acceptor hybrids through dissymmetric bay functionalization of PDIs. The dissymmetric bay-functionalized di- and trisubstituted PDIs were characterized by using one- and two-dimensional NMR spectroscopy. Density functional theory calculations revealed (i) an energy gap between the HOMO and LUMO in the range 2.14–2.34 eV, beneficial for charge-transfer properties; and (ii) a twist angle between the two naphthalene units in the range 17–26°, which might be beneficial for disruption of co-facial stacking of the PDI.

中文翻译：

不对称 Bay 官能化苝二酰亚胺

我们报告了通过 PDI 的不对称海湾功能化合成基于苝二亚胺 (PDI) 的供体 - 受体杂化物。通过使用一维和二维核磁共振光谱表征了不对称的海湾功能化二和三取代的 PDI。密度泛函理论计算表明 (i) HOMO 和 LUMO 之间的能隙在 2.14-2.34 eV 范围内，有利于电荷转移特性；(ii) 两个萘单元之间的扭转角在 17-26° 范围内，这可能有利于破坏 PDI 的共面堆积。

更新日期：2018-06-20

点击分享查看原文

点击收藏

阅读更多本刊最新论文本刊介绍/投稿指南11