Investigation of Pb–B Bonding in PbB2(BO)n− (n = 0–2): Transformation from Aromatic PbB2− to Pb[B2(BO)2]−/0 Complexes with BB Triple Bonds

Qiang Chen; Wei-Jia Chen; Xin-Yao Wu; Teng-Teng Chen; Rui-Nan Yuan; Hai-Gang Lu; Dao-Fu Yuan; Si-Dian Li; Lai-Sheng Wang

doi:10.1039/D3CP02800C

Investigation of Pb–B Bonding in PbB₂(BO)_n⁻ (n = 0–2): Transformation from Aromatic PbB₂⁻ to Pb[B₂(BO)₂]^−/0 Complexes with BB Triple Bonds†

Qiang Chen,

‡^ac Wei-Jia Chen,

‡^b Xin-Yao Wu,‡^a Teng-Teng Chen,^be Rui-Nan Yuan,^a Hai-Gang Lu,^ac Dao-Fu Yuan,

*^bd Si-Dian Li

*^ac and Lai-Sheng Wang

*^b

Author affiliations

* Corresponding authors

^a Institute of Molecular Science, Key Laboratory of Materials for Energy Conversion and Storage of Shanxi Province, Shanxi University, Taiyuan 030006, People's Republic of China
E-mail: lisidian@sxu.edu.cn

^b Department of Chemistry, Brown University, Providence, Rhode Island 02912, USA
E-mail: laisheng_wang@brown.edu

^c Key Laboratory of Chemical Biology and Molecular Engineering of Ministry of Education, Shanxi University, Taiyuan 030006, People's Republic of China

^d Hefei National Research Center for Physical Sciences at the Microscale, University of Science and Technology of China, Hefei 230026, China
E-mail: ydfu@ustc.edu.cn

^e Department of Chemistry, The Hong Kong University of Science and Technology (HKUST), Clear Water Bay, Hong Kong SAR, China

Abstract

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 B [double bond, length as m-dash] B 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 B [triple bond, length as m-dash] B 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.

This article is part of the themed collection: PCCP 25th Anniversary Issue

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Article information

DOI: https://doi.org/10.1039/D3CP02800C
Article type: Paper
Submitted: 25 خرداد 1402
Accepted: 21 دی 1402
First published: 23 دی 1402

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Phys. Chem. Chem. Phys., 2024,26, 5356-5367

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Investigation of Pb–B Bonding in PbB₂(BO)_n⁻ (n = 0–2): Transformation from Aromatic PbB₂⁻ to Pb[B₂(BO)₂]^−/0 Complexes with BB Triple Bonds

Q. Chen, W. Chen, X. Wu, T. Chen, R. Yuan, H. Lu, D. Yuan, S. Li and L. Wang, Phys. Chem. Chem. Phys., 2024, 26, 5356 DOI: 10.1039/D3CP02800C

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