PNNL

Abstract

In an effort to elucidate the variation of the electronic structure as a function of oxidation and composition, we investigated an extensive series of dichromium oxide clusters, Cr2On- (n = 1-7) using photoelectron spectroscopy (PES). Well-resolved PES spectra were obtained at several photon energies. While low photon energy spectra yielded much better spectral resolution, high photon energy data allowed both Cr 3d- and O 2p-dreived detachment features to be observed. The overall spectral evolution of Cr2On– exhibits a behavior of sequential oxidation with increasing oxygen content, where low binding energy Cr 3d-based spectral features diminish in numbers and the spectra shift towards higher binding energies as a result of charge transfer from Cr to O. Evidence was obtained for the population of low-lying isomers for Cr2O2-, Cr2O3-, and Cr2O6-. The current data are compared with previous studies and with related studies on W2On- and Mo2On-.