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Description
| - 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 ligandůto-ligand charge transfer character L''LCT (L = alpha-diimine, L'' = Cl) whereas the neutral compounds exhibit pí_pí* transitions between the considerably mixed metal d pí and alpha-diimine pí* 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 pí-acceptors R-DAB.
- 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 ligandůto-ligand charge transfer character L''LCT (L = alpha-diimine, L'' = Cl) whereas the neutral compounds exhibit pí_pí* transitions between the considerably mixed metal d pí and alpha-diimine pí* 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 pí-acceptors R-DAB. (en)
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Title
| - 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)?
- 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)
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skos:prefLabel
| - 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)?
- 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)
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skos:notation
| - RIV/61388955:_____/03:54030171!RIV/2004/AV0/A54004/N
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http://linked.open.../vavai/riv/strany
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http://linked.open...avai/riv/aktivita
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http://linked.open...avai/riv/aktivity
| - P(OC D14.20), P(OC D15.10), Z(AV0Z4040901)
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http://linked.open...iv/cisloPeriodika
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http://linked.open...vai/riv/dodaniDat
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http://linked.open...aciTvurceVysledku
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http://linked.open.../riv/druhVysledku
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http://linked.open...iv/duvernostUdaju
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http://linked.open...titaPredkladatele
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http://linked.open...dnocenehoVysledku
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http://linked.open...ai/riv/idVysledku
| - RIV/61388955:_____/03:54030171
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http://linked.open...riv/jazykVysledku
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http://linked.open.../riv/klicovaSlova
| - bipyridine; 1,4-diazabutadiene; transition metal complexes (en)
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http://linked.open.../riv/klicoveSlovo
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http://linked.open...odStatuVydavatele
| - US - Spojené státy americké
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http://linked.open...ontrolniKodProRIV
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http://linked.open...i/riv/nazevZdroje
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http://linked.open...in/vavai/riv/obor
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http://linked.open...ichTvurcuVysledku
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http://linked.open...cetTvurcuVysledku
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http://linked.open...ocetUcastnikuAkce
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http://linked.open...nichUcastnikuAkce
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http://linked.open...vavai/riv/projekt
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http://linked.open...UplatneniVysledku
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http://linked.open...v/svazekPeriodika
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http://linked.open...iv/tvurceVysledku
| - Kaim, W.
- Sieger, M.
- Záliš, Stanislav
- Greulich, S.
- Stoll, H.
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http://linked.open...n/vavai/riv/zamer
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issn
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number of pages
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