Optical Properties of Organometallic Systems

1 Metal Complexatlon effects on the Structure and UV-Vis Spectra of Alizarin 

Bulk solvent described by the CPCM model, specific solvent effects considered by adding n = (4) water molecules in a metal coordination sphere. VE energies [eV], absorption wavelengths A. [nm]), oscillator strengths (f) and dipole moment p [Debyee]) are reported. All values are computed at 

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