Department of Chemistry, Marquette University, Milwaukee, WI, 53201-1881, USA.
Chemistry. 2020 Nov 6;26(62):14085-14089. doi: 10.1002/chem.202001919. Epub 2020 Oct 6.
The design and synthesis of a new molecular tweezer (T-tmp) with electron-rich pincers are reported. The stable monocationic radicals and self-assembled dimeric radicals of this molecular tweezer platform were prepared by chemical oxidative titration. With the aid of DFT calculations, it was found that the dimeric radicals with syn-syn-syn conformer has the most stable structure, with the hole primarily delocalized between parallel stacked pyrenyl groups.
报道了一种新型分子钳（T-tmp）的设计和合成，该分子钳具有富电子的夹钳。通过化学氧化滴定法制备了这种分子钳平台的稳定单阳离子自由基和自组装二聚体自由基。借助密度泛函理论（DFT）计算，发现具有 syn-syn-syn 构象的二聚体自由基具有最稳定的结构，空穴主要定域在平行堆积的芘基之间。
