Structure and formation of copper cluster ions in multiply charged He nanodroplets

Abstract

The structure of cationic and anionic Cu clusters grown in multiply charged superfluid He nanodroplets was investigated using He tagging as a chemical probe. Further, the structure assignment was done based on the magic-numbered ions, representing the most energetically favorable structures. The exact geometry of the cluster and positions of He is verified by calculations. It was found that the structure of the clusters grown in the He droplets is similar to that produced with a laser ablation source and the lowest energy structures predicted by theoretical investigations. The only difference is the structure of the Cu₅⁺, which in our experiments has a twisted-X geometry, rather than a bipyramid or planar half-wheel geometry suggested by previous studies. This might be attributed to the different cluster formation mechanisms, the absence of the Ar-tag and the ultracold environment. It was also found that He tends to bind to partially more electro-negative or positive areas of the anionic or cationic clusters, respectively.