Identification of hyperhalogens in Agn(BO2)m (n = 1–3, m = 1–2) clusters: anion photoelectron spectroscopy and density functional calculations
文献情報
Xiang-Yu Kong, Hong-Guang Xu, Pratik Koirala, Wei-Jun Zheng, Anil K. Kandalam, Puru Jena
The electronic and structural properties of neutral and anionic Agn(BO2)m (n = 1–3, m = 1–2) clusters are investigated by using mass-selected anion photoelectron spectroscopy and density functional theory calculations. Agreement between the measured and calculated vertical detachment energies (VDEs) allows us to validate the equilibrium geometries of [Agn(BO2)m]− clusters obtained from theory. The ground state structures of anionic Ag2(BO2) and Agn(BO2)2 (n = 1–3) clusters are found to be very different from those of their neutral counterparts. The structures of anionic clusters are chain-like while those of the neutral clusters are closed-rings. The presence of multiple isomers for [Ag2(BO2)2]− and [Ag3(BO2)2]− in the cluster beam has also been confirmed. Several of these clusters are found to be hyperhalogens.
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