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Geometry of excited states of transition metal complexes from resonance Raman data and quantum chemical calculations

Authors
Journal
Chemical Physics Letters
0009-2614
Publisher
Elsevier
Publication Date
Volume
361
Identifiers
DOI: 10.1016/s0009-2614(02)00977-6
Disciplines
  • Chemistry
  • Mathematics
  • Physics

Abstract

Abstract The method of estimation of the geometry changes due to electronic excitations using resonance Raman intensities and the results of quantum chemical calculations was extended on the transition metal complexes with organic ligands. The local nature of the MLCT transitions greatly simplifies the method in that it is possible to work only with a fragment of the initial rather complicated complex ion. The method is applied to the study of the Ru(II) complexes with 2,2 ′-bipyridine.

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