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Structures And Photoelectron Spectroscopy Of Cu-N(Bo2)(M) - (N, M=1, 2) Clusters: Observation Of Hyperhalogen Behavior, Yuan Feng, Hong-Guang Xu, Weijun Zheng, Hongmin Zhao, Anil K. Kandalam, Puru Jena
Structures And Photoelectron Spectroscopy Of Cu-N(Bo2)(M) - (N, M=1, 2) Clusters: Observation Of Hyperhalogen Behavior, Yuan Feng, Hong-Guang Xu, Weijun Zheng, Hongmin Zhao, Anil K. Kandalam, Puru Jena
Physics Publications
The electronic structures of CuBO2 −, Cu(BO2)2 −, Cu2(BO2)−, and Cu2(BO2)2 − clusters were investigated using photoelectron spectroscopy. The measured vertical and adiabatic detachment energies of these clusters revealed unusual properties of Cu(BO2)2 cluster. With an electron affinity of 5.07 eV which is larger than that of its BO2 superhalogen (4.46 eV) building-block, Cu(BO2)2 can be classified as a hyperhalogen. Density functional theory based calculations were carried out to identify the ground stategeometries and study the …