Identification of hyperhalogens in Agn(BO2)m (n = 1–3, m = 1–2) clusters: anion photoelectron spectroscopy and density functional calculations

Literature Information

Publication Date 2014-10-24
DOI 10.1039/C4CP04299A
Impact Factor 3.676
Authors

Xiang-Yu Kong, Hong-Guang Xu, Pratik Koirala, Wei-Jun Zheng, Anil K. Kandalam, Puru Jena


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Abstract

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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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
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