Photoelectron spectroscopy and density functional calculations of CunBO2(OH)− (n = 1,2) clusters

CunBO2(OH)− (n = 1, 2) clusters were studied by anion photoelectron spectroscopy and density functional calculations. From the experimental photoelectron spectra, the adiabatic detachment energy (ADE) and vertical detachment energy (VDE) of CuBO2(OH)− are determined to be 4.00 ± 0.08 and 4.26 ± 0.08 eV, and those of Cu2BO2(OH)− to be 2.30 ± 0.08 and 2.58 ± 0.08 eV. The structures of CunBO2(OH)− and their corresponding neutrals are assigned by comparison between theoretical calculations and experimental measurements. Both experiment and theory show that CuBO2(OH) can be viewed as a superhalogen, thus, confirmed that OH can behave like a halogen atom to participate in superhalogen formation.