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Ministerio de Ciencia e Innovación (Espanya)
Generalitat de Catalunya. Agència de Gestió d’Ajuts Universitaris i de Recerca |
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Swart, Marcel | |
2013 | |
Through extensive molecular modelling of FeIII/IV-oxo and FeIII-hydroxo complexes it is shown here unambiguously that the assignment of the iron oxidation state of a Sc3+-capped iron-oxygen species should be revised. Iron in this Lewis-acid capped metal-bound oxygen system is FeIII, coinciding with water as a secondary axial ligand to scandium The following organizations are thanked for financial support: the Ministerio de Ciencia e Innovacion (MICINN, project number CTQ2011-25086/BQU) and the DIUE of the Generalitat de Catalunya (project number 2009SGR528, and Xarxa de Referencia en Quimica Teorica i Computacional). Financial support was provided by MICINN (Ministry of Science and Innovation, Spain) and the FEDER fund (European Fund for Regional Development) under grant UNGI08-4E-003 |
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application/pdf | |
http://hdl.handle.net/10256/11457 | |
eng | |
Royal Society of Chemistry (RSC) | |
info:eu-repo/semantics/altIdentifier/doi/10.1039/c3cc42200c info:eu-repo/semantics/altIdentifier/issn/1359-7345 info:eu-repo/semantics/altIdentifier/eissn/1364-548X info:eu-repo/grantAgreement/MICINN//CTQ2011-25086/ES/MODELIZACION MULTIESCALAR EN (BIO)QUIMICA/ AGAUR/2009-2014/2009 SGR-528 |
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Tots els drets reservats | |
Ferro -- Oxidació
Iron -- Oxidation |
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A change in the oxidation state of iron: Scandium is not innocent | |
info:eu-repo/semantics/article | |
DUGiDocs |