%0 Journal Article %1 Ernst.1989b %A Ernst, Sylvia D. %A Kaim, Wolfgang. %D 1989 %J Inorganic Chemistry %K energy level polyazine;ligand ruthenium tailoring %N 8 %P 1520--1528 %R 10.1021/ic00307a020 %T Energy level tailoring in ruthenium(II) polyazine complexes based on calculated and experimental ligand properties %V 28 %X The effects of exptl. and calcd. ligand properties on the electronic structure of Ru(II) polyazines have been rationalized in the complexes (L3Ru)2+, (L)Ru(bpy)22+, and (η4,μ-L)Ru(bpy)224+, where L denotes the 4 isomeric bidiazines 3,3'-bipyridazine, 2,2'-bipyrazine, and 2,2'- and 4,4'-bipyrimidine and h2-azo-2,2'-bipyridine and where h4,m-L denotes the sym. bridging ligands 2,2'-bipyrimidine, 2,5-bis(2-pyridyl)pyrazine, 3,6-bis(2-pyridyl)-1,2,4,5-tetrazine, and azo-2,2'-bipyridine. Crucial factors detg. the redox potentials and metal-to-ligand charge-transfer (MLCT, d $\rightarrow$ p*) absorption energies are the ground-state basicities, the h* orbital energies, and electron densities at the coordinating atoms of the ligands. Mono- and binuclear complexes with unusually long wavelength MLCT absorptions were obtained by applying the described strategies in the design and selection of ligands. on SciFinder(R)

@article{Ernst.1989b, abstract = {The effects of exptl. and calcd. ligand properties on the electronic structure of Ru(II) polyazines have been rationalized in the complexes (L3Ru)2+, [(L)Ru(bpy)2]2+, and {(η4,μ-L)[Ru(bpy)2]2}4+, where L denotes the 4 isomeric bidiazines 3,3'-bipyridazine, 2,2'-bipyrazine, and 2,2'- and 4,4'-bipyrimidine and \textgreek{h}2-azo-2,2'-bipyridine and where \textgreek{h}4,\textgreek{m}-L denotes the sym. bridging ligands 2,2'-bipyrimidine, 2,5-bis(2-pyridyl)pyrazine, 3,6-bis(2-pyridyl)-1,2,4,5-tetrazine, and azo-2,2'-bipyridine. Crucial factors detg. the redox potentials and metal-to-ligand charge-transfer (MLCT, d $\rightarrow$ \textgreek{p}*) absorption energies are the ground-state basicities, the \textgreek{h}* orbital energies, and electron densities at the coordinating atoms of the ligands. Mono- and binuclear complexes with unusually long wavelength MLCT absorptions were obtained by applying the described strategies in the design and selection of ligands. [on SciFinder(R)]}, added-at = {2022-06-15T11:26:56.000+0200}, author = {Ernst, Sylvia D. and Kaim, Wolfgang.}, biburl = {https://puma.ub.uni-stuttgart.de/bibtex/24eeecba7f6251d7052419238c6f89438/huebleriac}, doi = {10.1021/ic00307a020}, interhash = {7b6bb048ad2786062e2fbef4cc08205d}, intrahash = {4eeecba7f6251d7052419238c6f89438}, issn = {0020-1669}, journal = {Inorganic Chemistry}, keywords = {energy level polyazine;ligand ruthenium tailoring}, number = 8, pages = {1520--1528}, timestamp = {2022-06-15T09:26:56.000+0200}, title = {Energy level tailoring in ruthenium(II) polyazine complexes based on calculated and experimental ligand properties}, volume = 28, year = 1989 }