Investigation of Pb–B Bonding in PbB 2 (BO) n − ( n = 0–2): Transformation from Aromatic PbB 2 − to Pb[B 2 (BO) 2 ] −/0 Complexes with BB Triple Bonds
Investigation of Pb–B Bonding in PbB 2 (BO) n − ( n = 0–2): Transformation from Aromatic PbB 2 − to Pb[B 2 (BO) 2 ] −/0 Complexes with BB Triple Bonds
复制标题
PbB 2 (BO) n ≤ ( n = 0≤2) 中 Pb≤B 键合的研究：从芳香族 PbB 2 ≤ 到 Pb[B 2 (BO) 2 ] ≤/0 配合物的转变
DOI：
10.1039/d3cp02800c
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发表时间：
2024
影响因子：
3.3
通讯作者：
Wang, Lai-Sheng
中科院分区：
文献类型：
--
作者：
Chen, Qiang;Chen, Wei-Jia;Wu, Xin-Yao;Chen, Teng-Teng;Yuan, Rui-Nan;Lu, Hai-Gang;Yuan, Dao-Fu;Li, Si-Dian;Wang, Lai-Sheng
人们发现硼能够与铅形成多重键。为了探测 Pb-B 键合，我们在这里报告了对三种 Pb 掺杂硼团簇 PbB2−、PbB3O− 和 PbB4O2− 的研究，它们是由激光烧蚀团簇源产生的，并通过光电子能谱和从头计算进行表征。我们发现 PbB2−、PbB3O− 和 PbB4O2− 最稳定的结构遵循公式 [PbB2(BO)n]− (n = 0–2)，其中 0、1 和 2 个硼基配体分别与三角形和芳香族 PbB2 核配位。 PbB2−簇包含一个BB双键和两个Pb-B单键。观察到 BO 的配位削弱了 Pb-B 键合，但增强了 [PbB2(BO)n]− (n = 1, 2) 中的 BB 键。阴离子[PbB2(BO)2]−及其相应的中性闭壳[PbB2(BO)2]含有BB三键。 PbB4O2− 还观察到低位 Y 形异构体，由与两个硼基配体键合的中心 sp2 杂化 B 原子和 PbB 单元组成。
Boron has been found to be able to form multiple bonds with lead. To probe Pb–B bonding, here we report an investigation of three Pb-doped boron clusters, PbB2−, PbB3O−, and PbB4O2−, which are produced by a laser ablation cluster source and characterized by photoelectron spectroscopy and ab initio calculations. The most stable structures of PbB2−, PbB3O−, and PbB4O2− are found to follow the formula, [PbB2(BO)n]− (n = 0–2), with zero, one, and two boronyl ligands coordinated to a triangular and aromatic PbB2 core, respectively. The PbB2− cluster contains a BB double bond and two Pb–B single bonds. The coordination of BO is observed to weaken Pb–B bonding but strengthen the BB bond in [PbB2(BO)n]− (n = 1, 2). The anionic [PbB2(BO)2]− and its corresponding neutral closed-shell [PbB2(BO)2] contain a BB triple bond. A low-lying Y-shaped isomer is also observed for PbB4O2−, consisting of a central sp2 hybridized B atom bonded to two boronyl ligands and a PbB unit.