We use density functional calculations to determine the basicity of a series of σ-donor ligands with the aim to identify optimal σ-donor ligands to stabilize boron-boron multiple bonds. Beryllium-based ligands were found to stabilize the triple B≡B bonds of diborynes without reducing to a great extent their triple bond character.

中文翻译：

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寻找增强的 σ-供体配体以稳定硼-硼多重键

我们使用密度泛函计算来确定一系列 σ-供体配体的碱度，目的是确定最佳的 σ-供体配体以稳定硼-硼多重键。发现基于铍的配体可以稳定二硼炔的三 B≡B 键，而不会在很大程度上降低其三键特征。