title: Identification of hyperhalogens in Ag(n)(BO2)(m) (n = 1-3, m = 1-2) clusters: anion photoelectron spectroscopy and density functional calculations.
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.
authors.affiliation: Beijing National Laboratory for Molecular Sciences, State Key Laboratory of Molecular Reaction Dynamics, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, China. zhengwj@iccas.ac.cn.
authors.forename: Xiang-Yu
authors.initials: XY
authors.lastname: Kong
authors.forename: Hong-Guang
authors.initials: HG
authors.lastname: Xu
authors.forename: Pratik
authors.initials: P
authors.lastname: Koirala
authors.forename: Wei-Jun
authors.initials: WJ
authors.lastname: Zheng
authors.forename: Anil K
authors.initials: AK
authors.lastname: Kandalam
authors.forename: Puru
authors.initials: P
authors.lastname: Jena