具有前所未有的反芳香性平面四配位碳和氮原子的二元单阴离子。

Binary mono-anions with unprecedented anti-aromatic planar tetracoordinate carbon and nitrogen atoms.

作者信息

Jin Bo, Wang Zai-Ran

机构信息

Institute of Molecular Science, Shanxi University, Taiyuan, 030006, People's Republic of China.

出版信息

Phys Chem Chem Phys. 2022 Aug 3;24(30):17956-17960. doi: 10.1039/d2cp01496c.

DOI:10.1039/d2cp01496c

PMID:35876834

Abstract

Global minima (CBe and NBe) with planar tetracoordinate carbon and nitrogen atoms are stabilized by multicentric bonds. Their unusual anti-aromaticity is due to the strong localized Be-Be bonds preventing the full delocalization of the electrons in the CBe/NBe skeleton. These binary mono-anions are expected to be experimentally realized in the gas phase.

摘要

具有平面四配位碳和氮原子的全局最小值（CBe和NBe）通过多中心键得以稳定。它们不同寻常的反芳香性是由于强局域化的Be-Be键阻止了CBe/NBe骨架中电子的完全离域。预计这些二元单阴离子将在气相中通过实验实现。