The Structures and Bonding of Bismuth-Doped Boron Clusters: BiB4− and BiB5−
The Structures and Bonding of Bismuth-Doped Boron Clusters: BiB4− and BiB5−
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DOI：
10.3390/inorganics11100405
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发表时间：
2023-10
期刊：
影响因子：
2.9
通讯作者：
J. Halet;Gilles Alcaraz;Hyun Wook Choi;Wei-Jia Chen;G. Kocheril;Dao-Fu Yuan;Lai-Sheng Wang
中科院分区：
文献类型：
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作者：
J. Halet;Gilles Alcaraz;Hyun Wook Choi;Wei-Jia Chen;G. Kocheril;Dao-Fu Yuan;Lai-Sheng Wang
用光电子能谱和理论计算研究了两个掺铋的硼原子团簇BiBn−(n=4，5)的结构和化学键。测得BiB4和BiB5的电子亲和能分别为2.22(2)eV和2.61(2)eV。得到了高分辨的光电子能谱，并与理论计算进行了比较，验证了BiB_4-−和BiB_5-−的结构。这两个团簇都是平面结构，其中的Bi原子键合在平面的Bn部分的外围。化学键分析表明，Bn部分保持了σ和π的双芳性。研究发现，与过渡金属掺杂的硼原子团簇不同，铋原子对Bn原子的结构影响相对较小。
We present an investigation on the structures and chemical bonding of two Bi-doped boron clusters BiBn− (n = 4, 5) using photoelectron spectroscopy and theoretical calculations. The electron affinities of BiB4 and BiB5 are measured to be 2.22(2) eV and 2.61(2) eV, respectively. Well-resolved photoelectron spectra are obtained and used to compare with theoretical calculations to verify the structures of BiB4− and BiB5−. Both clusters adopt planar structures with the Bi atom bonded to the periphery of the planar Bn moiety. Chemical bonding analyses reveal that the Bn moiety maintains σ and π double-aromaticity. The Bi atom is found to induce relatively small structural changes to the Bn moiety, very different from transition metal-doped boron clusters.