"RIV/61388955:_____/04:00101136" . "Ur\u010Den\u00ED oxida\u010Dn\u00EDho stavu NO v komplexech [Cl5(NO)M]n-, M = Ru or Ir, na z\u00E1klad\u011B experiment\u016F a DFT v\u00FDpo\u010Dt\u016F"@cs . "Dalton Transactions" . . . . . "8"^^ . "Doctorovich, F." . . "Establishing the NO Oxidation State in Complexes [Cl5(NO)M]n-, M = Ru or Ir, trough Experiments and DFT Calculations"@en . "Sarkar, B." . "GB - Spojen\u00E9 kr\u00E1lovstv\u00ED Velk\u00E9 Brit\u00E1nie a Severn\u00EDho Irska" . . "EPR a IR spektroelektrochemie prok\u00E1zala, \u017Ee p\u0159i n\u00EDzk\u00FDch teplot\u00E1ch doch\u00E1z\u00ED u [Cl5Ir(NO)]- p\u0159ev\u00E1\u017En\u011B k reverzibiln\u00ED redukci NO skupiny. Na rozd\u00EDl od tohoto syst\u00E9mu u [Cl5Ru(NO)]2- iontu doch\u00E1z\u00ED k ireverzibiln\u00ED redukci a k reverzibiln\u00ED oxidaci na slou\u010Deninu ruthenia(III) p\u0159i -40oC. DFT v\u00FDpo\u010Dty byly pou\u017Eity pro objasn\u011Bn\u00ED elektronov\u00E9 struktury a vysv\u011Btlen\u00ED rozd\u00EDln\u00E9 stability. V\u00FDpo\u010Dty t\u00E9\u017E pouk\u00E1zaly na orienta\u010Dn\u011B z\u00E1visl\u00E9 energie a EPR vlastnosti rozd\u00EDln\u00FDch konformer\u016F."@cs . "NO oxidation; DFT calculations; spectroelectrochemistry"@en . "1797;1800" . . "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 . "Establishing the NO Oxidation State in Complexes [Cl5(NO)M]n-, M = Ru or Ir, trough Experiments and DFT Calculations" . "Z\u00E1li\u0161, Stanislav" . "4"^^ . "Establishing the NO Oxidation State in Complexes [Cl5(NO)M]n-, M = Ru or Ir, trough Experiments and DFT Calculations" . "2"^^ . "Establishing the NO Oxidation State in Complexes [Cl5(NO)M]n-, M = Ru or Ir, trough Experiments and DFT Calculations"@en . "Escola, N." . "Kaim, W." . "Sieger, M." . "Fiedler, Jan" . . . "Olabe, J. A." . "12" . . . "Ur\u010Den\u00ED oxida\u010Dn\u00EDho stavu NO v komplexech [Cl5(NO)M]n-, M = Ru or Ir, na z\u00E1klad\u011B experiment\u016F a DFT v\u00FDpo\u010Dt\u016F"@cs . "-" . . . "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." . "P(GA203/03/0821), P(OC D14.20), P(OC D15.10), Z(AV0Z4040901)" . "1477-9226" . . . . "[08490ADFA40E]" . . . "563140" . "RIV/61388955:_____/04:00101136!RIV/2005/AV0/A54005/N" . . .