Artículo
Sieger, M.; Sarkar, B.; Záliš, S.; Fiedler, J.; Escola, N.; Doctorovich, F.; Olabe, J.A.; Kaim, W. "Establishing the NO oxidation state in complexes [Cl5(NO)M] n-, M = Ru or Ir, through experiments and DFT calculations" (2004) Dalton Transactions(12):1797-1800
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Abstract:
Predominantly No-centered reduction was observed by EPR and IR spectroelectrochemistry to occur reversibly at low temperatures for [Cl 5Ir(NO)]-. In contrast, the [Cl5Ru(NO)] 2- ion was found to undergo only irreversible reduction but reversible oxidation to a ruthenium(III) species at -40°C. 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. © The Royal Society of Chemistry 2004.
Registro:
| Documento: | Artículo |
| Título: | Establishing the NO oxidation state in complexes [Cl5(NO)M] n-, M = Ru or Ir, through experiments and DFT calculations |
| Autor: | Sieger, M.; Sarkar, B.; Záliš, S.; Fiedler, J.; Escola, N.; Doctorovich, F.; Olabe, J.A.; Kaim, W. |
| Filiación: | Inst. Für Anorganische Chemie, Universität Stuttgart, Pfaffenwaldring 55, D-70550 Stuttgart, Germany J. Heyrovsky Inst. of Phys. Chem., Acad. of Sci. of the Czech Republic, Dolejškova 3, CZ-18223 Prague, Czech Republic Depto. Quim. Inorg., Analitica/Q.F., Fac. de Ciencias Exactas y Naturales, Ciudad Untversitaria, Pabellón 2, C1428EHA Buenos Aires, Argentina |
| Palabras clave: | Anisotropy; Chlorine compounds; Electrolysis; Electrolytic reduction; Electronic structure; Iridium; Oxidation; Paramagnetic resonance; Probability density function; Ruthenium; Transition metals; IR spectroelectrochemistry; Reduction-induced dissociation; Stretching frequencies; Zero order regular approximations (ZORA); Nitrogen oxides |
| Año: | 2004 |
| Número: | 12 |
| Página de inicio: | 1797 |
| Página de fin: | 1800 |
| DOI: | http://dx.doi.org/10.1039/b404121f |
| Título revista: | Dalton Transactions |
| Título revista abreviado: | Dalton Trans. |
| ISSN: | 14779226 |
| Registro: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_14779226_v_n12_p1797_Sieger |
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Citas:
---------- APA ----------
Sieger, M., Sarkar, B., Záliš, S., Fiedler, J., Escola, N., Doctorovich, F., Olabe, J.A.,..., Kaim, W. (2004) . Establishing the NO oxidation state in complexes [Cl5(NO)M] n-, M = Ru or Ir, through experiments and DFT calculations. Dalton Transactions(12), 1797-1800.http://dx.doi.org/10.1039/b404121f
---------- CHICAGO ----------
Sieger, M., Sarkar, B., Záliš, S., Fiedler, J., Escola, N., Doctorovich, F., et al. "Establishing the NO oxidation state in complexes [Cl5(NO)M] n-, M = Ru or Ir, through experiments and DFT calculations" . Dalton Transactions, no. 12 (2004) : 1797-1800.http://dx.doi.org/10.1039/b404121f
---------- MLA ----------
Sieger, M., Sarkar, B., Záliš, S., Fiedler, J., Escola, N., Doctorovich, F., et al. "Establishing the NO oxidation state in complexes [Cl5(NO)M] n-, M = Ru or Ir, through experiments and DFT calculations" . Dalton Transactions, no. 12, 2004, pp. 1797-1800.http://dx.doi.org/10.1039/b404121f
---------- VANCOUVER ----------
Sieger, M., Sarkar, B., Záliš, S., Fiedler, J., Escola, N., Doctorovich, F., et al. Establishing the NO oxidation state in complexes [Cl5(NO)M] n-, M = Ru or Ir, through experiments and DFT calculations. Dalton Trans. 2004(12):1797-1800.http://dx.doi.org/10.1039/b404121f
