Photoelectron spectroscopy and density functional study of ConC2− (n = 1–5) clusters

Abstract

Co_nC₂⁻ (n = 1–5) cluster anions were investigated using anion photoelectron spectroscopy. The adiabatic detachment energies (ADEs) and the vertical detachment energies (VDEs) of the Co_nC₂⁻ (n = 1–5) cluster anions were determined from their photoelectron spectra. Density functional calculations were performed for the Co_nC₂ (n = 1–5) cluster anions and neutrals. Our studies show that the structures of Co_nC₂⁻ (n = 1–5) can be described as attaching C₂ to the top sites, bridge sites, or hollow sites of the Co_n clusters. The C₂ retains an integral structure unit in the Co_nC₂ (n = 1–5) cluster anions and neutrals, rather than being separated by the Co_n clusters. The C₂ unit in the Co_nC₂ (n = 1–5) cluster anions and neutrals has the characteristics of a double-bond.