Study of the light-induced spin crossover process of the [Fe(II)(bpy)3]2+ complex.

@article{Graaf2010StudyOT,
  title={Study of the light-induced spin crossover process of the [Fe(II)(bpy)3]2+ complex.},
  author={Coen de Graaf and Carmen Sousa},
  journal={Chemistry},
  year={2010},
  volume={16 15},
  pages={4550-6}
}
Ab initio calculations have been performed on [Fe(II)(bpy)3](2+) (bpy = bipyridine) to establish the variation of the energy of the electronic states relevant to light-induced excited-state spin trapping as a function of the Fe-ligand distance. Light-induced spin crossover takes place after excitation into the singlet metal-to-ligand charge-transfer (MLCT) band. We found that the corresponding electronic states have their energy minimum in the same region as the low-spin (LS) state and that the… CONTINUE READING