Issue 24, 2013

Photoelectron spectroscopy of aromatic compound clusters of the B12 all-boron benzene: B12Au and B12(BO)

Abstract

We report a photoelectron spectroscopy and density-functional theory study of the B12Au and B13O clusters and their neutrals, which are shown to be six π electron aromatic compounds between the quasi-planar all-boron B12 benzene-analogue and a monovalent Au or BO ligand. Electron affinities of B12Au and B13O are measured to be 3.48 ± 0.04 and 3.90 ± 0.04 eV, respectively. Structural searches are performed for B12Au and B13O, which are compared with the isovalent B12H cluster. The global minima of B12Au and B13O both feature an almost intact B12 cluster with the Au and BO ligands bonded to its periphery, respectively. For B12Au, a low-lying isomer is also identified, which is only 0.4 kcal mol−1 above the global minimum, in agreement with the experimental observation of a weakly populated isomer in the cluster beam of B12Au. These aromatic compound clusters provide new examples for the Au/H isolobal analogy and the boronyl (BO) chemistry.

Graphical abstract: Photoelectron spectroscopy of aromatic compound clusters of the B12 all-boron benzene: B12Au− and B12(BO)−

Supplementary files

Article information

Article type
Paper
Submitted
14 Jan 2013
Accepted
17 Apr 2013
First published
17 Apr 2013

Phys. Chem. Chem. Phys., 2013,15, 9646-9653

Photoelectron spectroscopy of aromatic compound clusters of the B12 all-boron benzene: B12Au and B12(BO)

H. Bai, H. Zhai, S. Li and L. Wang, Phys. Chem. Chem. Phys., 2013, 15, 9646 DOI: 10.1039/C3CP50167A

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