Phys. Chem. Chem. Phys., 2016, Advance Article
DOI: 10.1039/C5CP06844D, Paper
DOI: 10.1039/C5CP06844D, Paper
Silvia Carlotto, Mauro Sambi, Andrea Vittadini, Maurizio Casarin
Mn(acac)2 and Co(acac)2 L2,3-edge spectra were successfully modeled by the DFT/ROCIS method. Both Mn(II) and Co(II) have a distorted tetrahedral environment and, similarly to other M(II) complexes, the higher EE side of L3 and L2 includes states, which involve MLCT transitions.
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Mn(acac)2 and Co(acac)2 L2,3-edge spectra were successfully modeled by the DFT/ROCIS method. Both Mn(II) and Co(II) have a distorted tetrahedral environment and, similarly to other M(II) complexes, the higher EE side of L3 and L2 includes states, which involve MLCT transitions.
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry