3D and 2D aromatic units behave like oil and water in the case of benzocarborane derivatives

2D/2D fusion of aromatic halves leading to a global aromatic is found in many polycyclic aromatic hydrocarbons, whereas 2D/3D aromaticity is difficult to achieve. Here the authors report a computational chemistry investigation showing that 3D/2D aromatic combination is not possible.

Bibliographic Details
Main Authors: Jordi Poater, Clara Viñas, Miquel Solà, Francesc Teixidor
Format: Article
Language:English
Published: Nature Portfolio 2022-07-01
Series:Nature Communications
Online Access:https://doi.org/10.1038/s41467-022-31267-7