. . "Replacement of 2,2''''-Bipyridine by 1,4-Diazabutadiene Acceptor Ligands: Why the Bathochromic Shift for [(N^N)IrCl(C5Me5)]+ Complexes but the Hypsochromic Shift for (N^N)Ir(C5Me5)?"@en . "RIV/61388955:_____/03:54030171!RIV/2004/AV0/A54004/N" . . . . "Z\u00E1li\u0161, Stanislav" . . . "625299" . "bipyridine; 1,4-diazabutadiene; transition metal complexes"@en . . "42" . "5"^^ . "Inorganic Chemistry" . "Greulich, S." . . "0"^^ . . "0"^^ . . . "7"^^ . "Replacement of 2,2''''-Bipyridine by 1,4-Diazabutadiene Acceptor Ligands: Why the Bathochromic Shift for [(N^N)IrCl(C5Me5)]+ Complexes but the Hypsochromic Shift for (N^N)Ir(C5Me5)?" . "0020-1669" . "US - Spojen\u00E9 st\u00E1ty americk\u00E9" . "P(OC D14.20), P(OC D15.10), Z(AV0Z4040901)" . . "1"^^ . "Sieger, M." . . "Stoll, H." . "5185;5191" . "Replacement of 2,2''''-Bipyridine by 1,4-Diazabutadiene Acceptor Ligands: Why the Bathochromic Shift for [(N^N)IrCl(C5Me5)]+ Complexes but the Hypsochromic Shift for (N^N)Ir(C5Me5)?"@en . "Kaim, W." . "Replacement of 2,2''-bipyridine (bpy) by substituted 1,4-diazabutadiene (R-DAB) alpha;-diimine ligands N^N leads to a substantial hypsochromic shift of about 0.8 eV for the long-wavelength absorption band in compounds (N^N)Ir(C5Me5) but to a bathochromic absorption shift of about 0.4 eV for the complex ions [(N^N)IrCl(C5Me5)]+. DFT calculations on model complexes based on experimental (R-DAB compounds) and geometry-optimized structures (bpy systems) reveal that the low-energy transitions of the cationic chloro complexes are largely of ligand\u016Fto-ligand charge transfer character L''LCT (L = alpha-diimine, L'' = Cl) whereas the neutral compounds exhibit p\u00ED_p\u00ED* transitions between the considerably mixed metal d p\u00ED and alpha-diimine p\u00ED* orbitals. The much more pronounced metal-ligand orbital interaction for the R-DAB complexes causes the qualitatively different shifts on replacing the stronger basic bpy by the better p\u00ED-acceptors R-DAB."@en . . "Replacement of 2,2''''-Bipyridine by 1,4-Diazabutadiene Acceptor Ligands: Why the Bathochromic Shift for [(N^N)IrCl(C5Me5)]+ Complexes but the Hypsochromic Shift for (N^N)Ir(C5Me5)?" . . "RIV/61388955:_____/03:54030171" . "[397AB8853282]" . "Replacement of 2,2''-bipyridine (bpy) by substituted 1,4-diazabutadiene (R-DAB) alpha;-diimine ligands N^N leads to a substantial hypsochromic shift of about 0.8 eV for the long-wavelength absorption band in compounds (N^N)Ir(C5Me5) but to a bathochromic absorption shift of about 0.4 eV for the complex ions [(N^N)IrCl(C5Me5)]+. DFT calculations on model complexes based on experimental (R-DAB compounds) and geometry-optimized structures (bpy systems) reveal that the low-energy transitions of the cationic chloro complexes are largely of ligand\u016Fto-ligand charge transfer character L''LCT (L = alpha-diimine, L'' = Cl) whereas the neutral compounds exhibit p\u00ED_p\u00ED* transitions between the considerably mixed metal d p\u00ED and alpha-diimine p\u00ED* orbitals. The much more pronounced metal-ligand orbital interaction for the R-DAB complexes causes the qualitatively different shifts on replacing the stronger basic bpy by the better p\u00ED-acceptors R-DAB." . "N/A" . . . .