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Authordc.contributor.authorCañón Mancisidor, Walter Alberto 
Authordc.contributor.authorSpodine Spiridonova, Evgenia es_CL
Authordc.contributor.authorVenegas Yazigi, Diego es_CL
Authordc.contributor.authorRojas, Darío es_CL
Authordc.contributor.authorManzur Saffie, Jorge es_CL
Authordc.contributor.authorAlvarez, Santiago es_CL
Admission datedc.date.accessioned2010-01-12T15:34:00Z
Available datedc.date.available2010-01-12T15:34:00Z
Publication datedc.date.issued2008-05-05
Cita de ítemdc.identifier.citationINORGANIC CHEMISTRY Volume: 47 Issue: 9 Pages: 3687-3692 Published: MAY 5 2008en_US
Identifierdc.identifier.issn0020-1669
Identifierdc.identifier.other10.1021/ic702104u
Identifierdc.identifier.urihttp://repositorio.uchile.cl/handle/2250/120847
Abstractdc.description.abstractExperimental redox potentials of the couples [Cu(R-L-n)(CH3CN)](2+,+), where L-1 is bis-(pyridine-2-ylmethyl)-benzylamine, L-2 is (pyridine-2-ylethyl)(pyridine-2-ylmethyl)-benzylamine, and R is H, Me, or CF3, were determined in dichloromethane solution. The compounds exhibited one simple quasi-reversible wave over the measured potential range of -500 to +1200 mV, and the E-1/2 values varied from +200 to +850 mV versus SCE. These experimental values were correlated with redox potentials calculated using density functional theory. The optimized geometries and the predicted redox potentials were obtained using the BP86 functional and a combination of the basis sets LACV3P** (for Cu) and cc-pVTZ(-f) (for light atoms). A distortion analysis of all of the optimized geometries for both oxidation states was performed using the generalized interconversion coordinate (p. A linear relation was obtained between this parameter and the redox potentials. However, the [Cu(CF3-L-1)(CH3CN)]+ complex showed the largest deviation, which was explained by the more-rigid structure of the ligand.en_US
Lenguagedc.language.isoenen_US
Publisherdc.publisherAMER CHEMICAL SOCen_US
Keywordsdc.subjectCONTINUOUS SYMMETRY MEASURESen_US
Títulodc.titleElectrochemical behavior of copper complexes with substituted polypyridinic ligands: An experimental and theoretical studyen_US
Document typedc.typeArtículo de revistaen_US


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