Photoelectron spectroscopy and density functional study of ConC2− (n = 1–5) clusters†
Abstract
ConC2− (n = 1–5) cluster anions were investigated using anion photoelectron spectroscopy. The adiabatic detachment energies (ADEs) and the vertical detachment energies (VDEs) of the ConC2− (n = 1–5) cluster anions were determined from their photoelectron spectra. Density functional calculations were performed for the ConC2 (n = 1–5) cluster anions and neutrals. Our studies show that the structures of ConC2− (n = 1–5) can be described as attaching C2 to the top sites, bridge sites, or hollow sites of the Con clusters. The C2 retains an integral structure unit in the ConC2 (n = 1–5) cluster anions and neutrals, rather than being separated by the Con clusters. The C2 unit in the ConC2 (n = 1–5) cluster anions and neutrals has the characteristics of a double-bond.