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Superhalogen properties of BS2(-) and BSO(-): photoelectron spectroscopy and theoretical calculations
Li-Juan Zhao1, Hong-Guang Xu1, Gang Feng1
1Beijing National Laboratory for Molecular Sciences, State Key Laboratory of Molecular Reaction Dynamics, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, China. xlxu@iccas.ac.cn zhengwj@iccas.ac.cn.
Abstract:
We investigate BS2(-) and BSO(-) clusters using photoelectron spectroscopy and theoretical calculations. The electron affinities of BS2 and BSO are measured to be 3.80 ± 0.03 and 3.88 ± 0.03 eV, respectively, higher than those of halogen atoms. Thus, BS2 and BSO can be considered as superhalogens. The comparison of experimental and theoretical results confirmed that the ground state structures of BS2(-), BSO(-), and their neutrals are all linear. Analyses of natural bond orbitals suggest that both BS2(-) and BSO(-) have dual 3c-4e π hyperbonds.
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