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Description
| - Mono- a dinukleární organometalické komplexy niklu typu [(alpha-diimine)Ni(Mes)Brn] (n = 1 or 2) and [(alpha-diimine)Ni(Mes)2] (Mes = mesityl = 2,4,6-trimethylphenyl) byly připraveny a detailně charakterizovány. Krystalová struktura [(tmphen)Ni(Mes)2] a EXAFS studie vybraných vzorků popisují strukturní charakteristiky těchto komplexů. Elektronová struktura těchto komplexů byla zkoumána kombinací spektroskopických technik (absorpční, resonanční Ramanovou spektroskopie) a kvantově chemickými (DFT) výpočty. (cs)
- New organometallic nickel complexes of the type [( alpha -diimine)Ni(Mes)Br] and [ alpha -diimine)Ni(Mes)2] (Mes = mesityl = 2,4,6-trimethylphenyl) were prepared and characterized spectroscopically in detail. A combination of spectroscopic techniques (XRD, EXAFS, absorption, resonance Raman) and quantum chemical (DFT) calculations reveal the interplay of the diimine ligands and the co-ligands mesityl or bromine with the nickel centre. The low-lying electronic transitions are assigned to mixed MLCT/L'LCT or MLCT/XLCT due to low-lying accepting .pí.*-orbitals centered on the diimine ligands and mixed metal/co-ligand MOs as donor levels.
- New organometallic nickel complexes of the type [( alpha -diimine)Ni(Mes)Br] and [ alpha -diimine)Ni(Mes)2] (Mes = mesityl = 2,4,6-trimethylphenyl) were prepared and characterized spectroscopically in detail. A combination of spectroscopic techniques (XRD, EXAFS, absorption, resonance Raman) and quantum chemical (DFT) calculations reveal the interplay of the diimine ligands and the co-ligands mesityl or bromine with the nickel centre. The low-lying electronic transitions are assigned to mixed MLCT/L'LCT or MLCT/XLCT due to low-lying accepting .pí.*-orbitals centered on the diimine ligands and mixed metal/co-ligand MOs as donor levels. (en)
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Title
| - On the Electronic Structure of Mesitylnickel Complexes of .alpha.-Diimines-Combining Structural Data, Spectroscopy and Calculations
- Elektronová struktura mesitylenových komplexů niklu s alfa-diiminy získaná kombinací strukturních dat, spektroskopií a výpočtů (cs)
- On the Electronic Structure of Mesitylnickel Complexes of .alpha.-Diimines-Combining Structural Data, Spectroscopy and Calculations (en)
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skos:prefLabel
| - On the Electronic Structure of Mesitylnickel Complexes of .alpha.-Diimines-Combining Structural Data, Spectroscopy and Calculations
- Elektronová struktura mesitylenových komplexů niklu s alfa-diiminy získaná kombinací strukturních dat, spektroskopií a výpočtů (cs)
- On the Electronic Structure of Mesitylnickel Complexes of .alpha.-Diimines-Combining Structural Data, Spectroscopy and Calculations (en)
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skos:notation
| - RIV/61388955:_____/04:00101112!RIV/2005/AV0/A54005/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), 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:_____/04:00101112
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http://linked.open...riv/jazykVysledku
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http://linked.open.../riv/klicovaSlova
| - density functional calculations; electronic structure; Raman spectroscopy (en)
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http://linked.open.../riv/klicoveSlovo
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http://linked.open...odStatuVydavatele
| - DE - Spolková republika Německo
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http://linked.open...ontrolniKodProRIV
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http://linked.open...i/riv/nazevZdroje
| - European Journal of Inorganic Chemistry
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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...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
| - Záliš, Stanislav
- Klein, A.
- Bertagnolli, H.
- Feth, M. P.
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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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