电子补偿：一种用于化学稳定具有超配位中心的硼基簇合物的有效策略。

Electron-compensation: a valid strategy for chemically stabilizing boron-based clusters with hypercoordinate centres.

作者信息

Jin Bo, Yuan Caixia, Lu Gang, Wu Yan-Bo

机构信息

Key Laboratory of Materials for Energy Conversion and Storage of Shanxi Province, Key Laboratory of Chemical Biology and Molecular Engineering of Ministry of Education, Institute of Molecular Science, Shanxi University, Taiyuan, Shanxi 030006, People's Republic of China.

School of Chemistry and Chemical Engineering, Shandong University, Jinan, 250100, People's Republic of China.

出版信息

Chem Commun (Camb). 2022 Nov 24;58(94):13095-13098. doi: 10.1039/d2cc05654b.

DOI:10.1039/d2cc05654b

PMID:36342028

Abstract

To eliminate the chemical instability caused by the electron-deficiency of boron, two types of usual dative π bonds are recommended for compensating boron atoms in the computational design of boron-based clusters having hypercoordinate centres, which can lead to unusually stable targets for synthesis in the condensed phase.

摘要

为消除硼的缺电子性所导致的化学不稳定性，在具有超配位中心的硼基团簇的计算设计中，推荐两种常见的给体π键来补偿硼原子，这可以为凝聚相中的合成提供异常稳定的目标产物。