Issue 6, 2024

Investigation of Pb–B Bonding in PbB2(BO)n (n = 0–2): Transformation from Aromatic PbB2 to Pb[B2(BO)2]−/0 Complexes with B[triple bond, length as m-dash]B Triple Bonds

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

Graphical abstract: Investigation of Pb–B Bonding in PbB2(BO)n− (n = 0–2): Transformation from Aromatic PbB2− to Pb[B2(BO)2]−/0 Complexes with B [[triple bond, length as m-dash]] B Triple Bonds

Supplementary files

Article information

Article type
Paper
Submitted
15 ⵢⵓⵏ 2023
Accepted
11 ⵉⵏⵏ 2024
First published
13 ⵉⵏⵏ 2024

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

Investigation of Pb–B Bonding in PbB2(BO)n (n = 0–2): Transformation from Aromatic PbB2 to Pb[B2(BO)2]−/0 Complexes with B[triple bond, length as m-dash]B 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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