杂原子
分子
心环烯
化学
结晶学
平面的
戒指(化学)
苯
立体化学
有机化学
计算机图形学(图像)
计算机科学
作者
Leyong Zhou,Gang Zhang
标识
DOI:10.1002/anie.202002869
摘要
Abstract The surface extension of all‐carbon based bowl‐shaped molecules, such as corannulene and sumanene, to synthesize even larger buckybowls has been widely studied, leaving other concave compounds with heteroatoms less considered. Herein we present a highly curved molecule synthesized via stepwise cyclization of fjords of a bisacridone derivative. Crystallographic analysis unambiguously confirmed a boat‐shaped structure with deformed bottom benzene ring. Theoretical calculation unravels an inversion process with an S‐shaped transition structure rather than a planar one. The enlarged boat demonstrates interesting properties, such as red shifts in absorption and emission spectra, enhanced emission intensity, and convergent frontier molecular orbital energy levels, in comparison to the related concave N ‐heterotriangulene.
科研通智能强力驱动
Strongly Powered by AbleSci AI