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Title:Probing the Metal-to-Ligand Charge Transfer First Excited State in (eta(6)-Naphthalene)Cr(CO)(3) and (eta(6)-Phenanthrene)Cr(CO)(3) by Resonance Raman Spectroscopy and Density Functional Theory Calculations
Authors:Picardi, Gennaro Keyes, Tia E. Forster, Robert J. Long, Conor, 2011
Abstract: The nature of the lowest energy optical transition for the complexes (eta(6)-naphtlialene)Cr(CO)(3) and (eta(6)-phenanthrene)Cr(CO)(3) in the solid state has been investigated by Raman spectroscopy using a range of different excitation wavelengths progressively approaching the resonant condition. Examination of the resonantly enhanced Raman modes confirms that the first absorption is attributed predominantly to a metal-to-arene charge transfer transition for both complexes. A notable difference in the photochemistry of the two complexes was observed. In the case of the phenanthrene complex, population of the lowest energy excited state leads to a photochemical process which resulted in the loss of the arene ligand and formation of Cr(CO)(6).
ICHEC Project:Estimating the potential energy surfaces around pi-coordinated arene ligands in (eta-Arene)Cr(CO)3 complexes
Publication:J. Phys. Chem. A, 2011, 115 (42), pp 11641–11651
URL: http://pubs.acs.org/doi/abs/10.1021/jp206466b
Status: Published

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