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Updated: Dec 26, 2025

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
Published on: October 12, 2019
A Nanoboat with Fused Concave N-Heterotriangulene
1Co-Innovation Center for Efficient Processing and Utilization of Forest Products, College of Chemical Engineering, Nanjing Forestry University, Longpan Road 159, Nanjing, 210037, P. R. China.
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.
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