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A change in the oxidation state of iron: Scandium is not innocent

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

漏 Chemical Communications, 2013, vol. 49, n煤m. 59, p. 6650-6652

Royal Society of Chemistry (RSC)

Author: Swart, Marcel
Date: 2013
Abstract: 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
Format: application/pdf
ISSN: 1359-7345 (versi贸 paper)
1364-548X (versi贸 electr貌nica)
Document access: http://hdl.handle.net/10256/11457
Language: eng
Publisher: Royal Society of Chemistry (RSC)
Collection: MICINN/PN 2012-2014/CTQ2011-25086
AGAUR/2009-2014/2009 SGR-528
Reproducci贸 digital del document publicat a: http://dx.doi.org/10.1039/c3cc42200c
Articles publicats (D-Q)
Is part of: 漏 Chemical Communications, 2013, vol. 49, n煤m. 59, p. 6650-6652
Rights: Tots els drets reservats
Subject: Ferro -- Oxidaci贸
Iron -- Oxidation
Title: A change in the oxidation state of iron: Scandium is not innocent
Type: info:eu-repo/semantics/article
Repository: DUGiDocs

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