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Density Functional Calculation of the Electronic Circular Dichroism Spectra of the Transition Metal Complexes [M(phen)3]2+ (M = Fe, Ru, Os)

✍ Scribed by Le Guennic, Boris; Hieringer, Wolfgang; Görling, Andreas; Autschbach, Jochen


Book ID
111682123
Publisher
American Chemical Society
Year
2005
Tongue
English
Weight
369 KB
Volume
109
Category
Article
ISSN
1089-5639

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New spectroscopic absorption and luminescence data for the ions M(bpy)~ + @I = Fe, Ru, Os) provide the basis for a theoretical model of the electronic structure of these ions. An important aspect of the model is the essential localization of the triplet states, in contrast to the singlet states whic