Observation of Four-Fold Boron-Metal Bonds in RhB(BO-) and RhB.,The Journal of Physical Chemistry Letters

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Observation of Four-Fold Boron-Metal Bonds in RhB(BO-) and RhB.
The Journal of Physical Chemistry Letters ( IF 4.8 ) Pub Date : 2020-01-13 , DOI: 10.1021/acs.jpclett.9b03484
Ling Fung Cheung ₁ , Teng-Teng Chen ₁ , G Stephen Kocheril ₁ , Wei-Jia Chen ₁ , Joseph Czekner ₁ , Lai-Sheng Wang ₁

Affiliation

The maximum bond order between two main-group atoms was known to be three. However, it has been suggested recently that there is quadruple bonding in C2 and analogous eight-valence electron species. While the quadruple bond in C2 has aroused some debates, an interesting question is: are main-group elements capable of forming quadruple bonds? Here we use photoelectron spectroscopy and computational chemistry to probe the electronic structure and chemical bonding in RhB2O- and RhB- and show that the boron atom engages in quadruple bonding with rhodium in RhB(BO)- and neutral RhB. The quadruple bonds consist of two π-bonds formed between the Rh 4dxz/4dyz and B 2px/2py orbitals and two σ-bonds between the Rh 4dz2 and B 2s/2pz orbitals. To confirm the quadruple bond in RhB, we also investigate the linear Rh≡B-H+ species and find a triple bond between Rh and B, which has a longer bond length, lower stretching frequency, and smaller bond dissociation energy in comparison with that of the Rh≣B quadruple bond in RhB.

中文翻译：

RhB（BO-）和RhB中四重硼金属键的观察。

已知两个主原子之间的最大键序为3。然而，最近已经提出在C 2和类似的八价电子物种中存在四重键合。尽管C2中的四重键引起了一些争论，但一个有趣的问题是：主族元素是否能够形成四重键？在这里，我们使用光电子能谱和计算化学来探测RhB2O-和RhB-中的电子结构和化学键，并显示硼原子与RhB（BO）-和中性RhB中的铑进行四重键合。四重键由在Rh 4dxz / 4dyz和B 2px / 2py轨道之间形成的两个π键以及在Rh 4dz2和B 2s / 2pz轨道之间的两个σ键组成。为了确认RhB中的四键，

更新日期：2020-01-13

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