@article {ISI:000254858100027, title = {Assignment of Pre-edge Features in the Ru K-edge X-ray Absorption Spectra of Organometallic Ruthenium Complexes.}, journal = {Inorg. Chim. Acta}, volume = {361}, number = {4}, year = {2008}, pages = {1059}, abstract = {The nature of the lowest energy bound-state transition in the Ru K-edge X-ray Absorption Spectra for a series of Grubbs-type ruthenium complexes was investigated. The pre-edge feature was unambiguously assigned as resulting from formally electric dipole forbidden Ru 4d<{\textendash}1s transitions. The intensities of these transitions are extremely sensitive to the ligand environment and the symmetry of the metal centre. In centrosymmetric complexes the pre-edge is very weak since it is limited by the weak electric quadrupole intensity mechanism. By contrast, upon breaking centrosymmetry, Ru 5p-4d mixing allows for introduction of electric dipole allowed character resulting in a dramatic increase in the pre-edge intensity. The information content of this approach is explored as it relates to complexes of importance in olefin metathesis and its relevance as a tool for the study of reactive intermediates.}, keywords = {DFT, OLEFIN METATHESIS, XAS}, issn = {0020-1693}, doi = {10.1016/j.ica.2007.07.029}, url = {http://www.pubmedcentral.nih.gov/articlerender.fcgi?artid=2819416\&tool=pmcentrez\&rendertype=abstract}, author = {Getty, Kendra and Delgado-Jaime, Mario Ulises and Kennepohl, Pierre} }