Original Publication Date
The Journal of Chemical Physics
DOI of Original Publication
Date of Submission
Using a combination of density functional theory and anion photoelectron spectroscopy experiment, we have studied the structure and electronic properties of CuCl n − (n = 1–5) and Cu2Cl n − (n = 2–5) clusters. Prominent peaks in the mass spectrum of these clusters occurring at n = 2, 3, and 4 in CuCl n − and at n = 3, 4, and 5 in Cu2Cl n − are shown to be associated with the large electron affinities of their neutral clusters that far exceed the value of Cl. While CuCl n(n ≥ 2) clusters are conventional superhalogens with a metal atom at the core surrounded by halogen atoms, Cu2Cl n (n ≥ 3) clusters are also superhalogens but with (CuCl)2 forming the core. The good agreement between our calculated and measured electron affinities and vertical detachment energies confirm not only the calculated geometries of these superhalogens but also our interpretation of their electronic structure and relative stability.
Ko, Y. J., Wang, H., & Pradhan, K., et al. Superhalogen properties of CumCln clusters: Theory and experiment. The Journal of Chemical Physics, 135, 244312 (2011). Copyright © 2011 American Institute of Physics.
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VCU Physics Publications