Structures and Magnetism of Cationic Chromium-Manganese Bimetallic Oxide Clusters

Abstract

The chromium-manganese bimetallic oxide clusters CrMnO4 +, CrMn2O5,6 +, Cr2MnO6,7 +, CrMn3O6 +, Cr2Mn2O7,8 +, and Cr3MnO8,9 + were synthesized in a laser ablation cluster source and characterized by infrared multiple photon dissociation spectroscopy on the corresponding weakly bound cluster-O2 complexes. The geometric and electronic structures of CrMnO2-6 +, CrxMnyO3-8 + (x,y = 2,1 and 1,2), and CrxMnyO5-10 + (x,y = 1,3, 2,2, and 3,1) were studied using density functional theory, and for certain sizes, the spectroscopic data allowed to assign the predicted structures. It is found computationally that, for a given number of metal atoms, neither the Cr:Mn ratio nor the presence of additional o..