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Description
| - Predominantly NO-centered reduction was observed by EPR and IR spectroelectrochemistry to occur reversibly at low temperatures for [Cl5Ir(NO)]-. In contrast, the [Cl5Ru(NO)]2- ion was found to undergo only irreversible reduction but reversible oxidation to a ruthenium(III) species at -40oC. DFT calculations were used to establish the electronic structures and to rationalise the different stabilities. The calculations also reveal orientation-dependent energies and EPR properties between staggered and eclipsed conformations.
- Predominantly NO-centered reduction was observed by EPR and IR spectroelectrochemistry to occur reversibly at low temperatures for [Cl5Ir(NO)]-. In contrast, the [Cl5Ru(NO)]2- ion was found to undergo only irreversible reduction but reversible oxidation to a ruthenium(III) species at -40oC. DFT calculations were used to establish the electronic structures and to rationalise the different stabilities. The calculations also reveal orientation-dependent energies and EPR properties between staggered and eclipsed conformations. (en)
- EPR a IR spektroelektrochemie prokázala, že při nízkých teplotách dochází u [Cl5Ir(NO)]- převážně k reverzibilní redukci NO skupiny. Na rozdíl od tohoto systému u [Cl5Ru(NO)]2- iontu dochází k ireverzibilní redukci a k reverzibilní oxidaci na sloučeninu ruthenia(III) při -40oC. DFT výpočty byly použity pro objasnění elektronové struktury a vysvětlení rozdílné stability. Výpočty též poukázaly na orientačně závislé energie a EPR vlastnosti rozdílných konformerů. (cs)
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Title
| - Establishing the NO Oxidation State in Complexes [Cl5(NO)M]n-, M = Ru or Ir, trough Experiments and DFT Calculations
- Establishing the NO Oxidation State in Complexes [Cl5(NO)M]n-, M = Ru or Ir, trough Experiments and DFT Calculations (en)
- Určení oxidačního stavu NO v komplexech [Cl5(NO)M]n-, M = Ru or Ir, na základě experimentů a DFT výpočtů (cs)
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skos:prefLabel
| - Establishing the NO Oxidation State in Complexes [Cl5(NO)M]n-, M = Ru or Ir, trough Experiments and DFT Calculations
- Establishing the NO Oxidation State in Complexes [Cl5(NO)M]n-, M = Ru or Ir, trough Experiments and DFT Calculations (en)
- Určení oxidačního stavu NO v komplexech [Cl5(NO)M]n-, M = Ru or Ir, na základě experimentů a DFT výpočtů (cs)
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skos:notation
| - RIV/61388955:_____/04:00101136!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(GA203/03/0821), 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:_____/04:00101136
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http://linked.open...riv/jazykVysledku
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http://linked.open.../riv/klicovaSlova
| - NO oxidation; DFT calculations; spectroelectrochemistry (en)
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http://linked.open.../riv/klicoveSlovo
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http://linked.open...odStatuVydavatele
| - GB - Spojené království Velké Británie a Severního Irska
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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...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
| - Fiedler, Jan
- Kaim, W.
- Sarkar, B.
- Sieger, M.
- Záliš, Stanislav
- Olabe, J. A.
- Doctorovich, F.
- Escola, N.
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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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