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AMBIENTUM BIOETHICA BIOLOGIA CHEMIA DIGITALIA DRAMATICA EDUCATIO ARTIS GYMNAST. ENGINEERING EPHEMERIDES EUROPAEA GEOGRAPHIA GEOLOGIA HISTORIA HISTORIA ARTIUM INFORMATICA IURISPRUDENTIA MATHEMATICA MUSICA NEGOTIA OECONOMICA PHILOLOGIA PHILOSOPHIA PHYSICA POLITICA PSYCHOLOGIA-PAEDAGOGIA SOCIOLOGIA THEOLOGIA CATHOLICA THEOLOGIA CATHOLICA LATIN THEOLOGIA GR.-CATH. VARAD THEOLOGIA ORTHODOXA THEOLOGIA REF. TRANSYLVAN
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STUDIA CHEMIA - Issue no. 2 / 2004 | |||||||
Article: |
BONDING IN FERRIC-OXO COMPLEXES. Authors: RADU SILAGHI-DUMITRESCU. |
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Abstract: . Iron (IV) oxo complexes have been implicated in key biological oxidations with heme and non-heme enzymatic systems. Related to these, a non-heme iron (III) oxo complex has recently been described. Intriguingly, the Fe(III)-oxo interaction was proposed to consist of one bond, while the absence of bonding would be compensated by three hydrogen bonds between the oxo atom and the ligand scaffold surrounding the iron. Here, we report density functional calculations unambiguously indicating that hydrogen bonding weakens the Fe-O bond, and Fe-O bonding does in fact exist in the above-mentioned Fe(III)-oxo adduct. | |||||||
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