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The electronic spectrum of cryogenic ruthenium-tris-bipyridine dications in vacuo

Journal Article · · Journal of Chemical Physics
DOI:https://doi.org/10.1063/1.4955262· OSTI ID:22675967
 [1];
  1. JILA and Department of Physics, University of Colorado, Boulder, Colorado 80309-0440 (United States)
We report the electronic spectrum of the prototypical ruthenium coordination complex Ru(bpy){sub 3}{sup 2+} (bpy = 2, 2′-bipyridine) by messenger tagging with N{sub 2} in a cryogenic ion trap and photodissociation spectroscopy of mass selected Ru(bpy){sub 3}{sup 2+} ⋅ N{sub 2} ions. We observe individual electronic bands and groups of bands with unprecedented detail, particularly in the usually unresolved metal-to-ligand charge transfer region of the spectrum. By comparing our experimental results with time-dependent density functional theory, both with and without spin-orbit interaction [Heully et al., J. Chem. Phys. 131, 184308 (2009)], we are able to assign the spectrum of the isolated ion.
OSTI ID:
22675967
Journal Information:
Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 2 Vol. 145; ISSN JCPSA6; ISSN 0021-9606
Country of Publication:
United States
Language:
English