Stable compositions and structures of copper oxide cluster cations have been studied by ion mobility mass spectrometry (IMMS) and density functional theory calculations. Cluster ions of the series CunOm + were predominantly observed with n:m ≈ 2:1 in the mass spectrum. Collision cross sections (CCSs) of the cluster ions with n:m ≈ 2:1, determined by IMMS, were found to increase monotonically with cluster size. In addition, the CCSs of CunOn + and CunOn-1 + (n = 2-8) were examined, and stepwise increases were observed for CunOn-1 + series. These cluster structures were assigned by comparison of the CCSs obtained via the IMMS experiment with theoretical orientation-averaged CCSs of optimized structures.
ASJC Scopus subject areas
- Chemical Engineering(all)