Schönherr, T. and Degen, J. and Gallhuber, E. and Hensler, G. and Yersin, Hartmut (1989) Geometrical distortions in excited A₂' states of single-crystal [Ru(bpy)₃](PF₆)₂. Chemical Physics Letters 158 (6), pp. 519-524.
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The absorption band pattern of the E || c-polarized metal-to-ligand charge-transfer transitions in [Ru(bpy)₃](PF₆)₂ have been investigated by a band profile analysis in terms of intensity distributions l(η; Δ, β) of vibrational progressions in totally symmetric normal modes. For a specific state at 18770 cm⁻¹ of A₂' symmetry (classified in the relevant double group D₃') the Δ parameter obtained corresponds mainly to a change in equilibrium geometry of the bipyridine ligands with an increase in average intra-ring C-C (or C-N) distances and a decrease of inter-ring distances. Different geometric distortions occur in higher-lying A₂' states. The results are in accordance with bond length changes determined by a Hückel treatment considering electron density transferred into the π* orbitals of the bipyridinc ligand. The importance of different CT transitions (Ru 4d —› bpy π₁*, π₂*) for the visible absorption band structures is indicated.
|Institutions:||Chemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie > Chair of Chemistry III - Physical Chemistry (Light and Matter) > Prof. Dr. Hartmut Yersin|
|Subjects:||500 Science > 540 Chemistry & allied sciences|
|Refereed:||Yes, this version has been refereed|
|Created at the University of Regensburg:||Partially|
|Owner:||Prof. Dr. Hartmut Yersin|
|Deposited On:||04 Mar 2011 06:32|
|Last Modified:||04 Mar 2011 06:32|