Mutual interdependence of spin crossover and metal-metal bond formation in M2Cl9(3-) (M = Fe, Ru, Os).
Broken-symmetry density functional theory is used to examine the coupling between metal ions in the face-shared bioctahedral complexes M2Cl9(3-), M = Fe, Ru, Os. In the ruthenium and osmium systems, the metal ions have low-spin configurations, and strong coupling results in the formation of a metal-metal sigma bond. In contrast, the iron system contains two weakly coupled high-spin FeIII centers, the different behavior being due to the high spin-polarization energy in the smaller Fe atom. At ...Expand abstract
- Publication status:
- Publisher copy:
- Copyright date:
Views and Downloads
If you are the owner of this record, you can report an update to it here: Report update to this record