Photoelectron-spectroscopy experiment combined with the GGA-level DFT calculations revealed that the antiferromagnetic Cr-Cr spin coupling in Cr2- is altered to ferromagnetic one upon oxidation into Cr2On- (n=1-3). The ferromagnetic spin coupling originates predominantly from a superexchange-type interaction through oxygen atoms bridging the two chromium atoms.
All Science Journal Classification (ASJC) codes
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry