1. UdG
  2. Marcel Swart group
  3. Diiron(III)_project

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Manuscript title: Sc3+-promoted O–O bond cleavage of a (μ-1,2-peroxo)diiron(III) species formed from an iron(II) precursor and O2 to generate a complex with an FeIV2(μ-O)2 core

Journal: J. Am. Chem. Soc.

DOI: 10.1021/JACS.9B12081

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DC FieldValueLanguage
dc.contributor.authorSwart, Marcel-
dc.coverage.spatialES Girona Girona-
dc.date.accessioned2020-01-17T12:06:26Z-
dc.date.available2020-02-06T16:16:43Z-
dc.date.created2020-01-17T13:06:24.791+01:00-
dc.date.issued2020-01-17T13:06:24.791+01:00-
dc.identifier.urihttps://iochem.udg.edu:8443/browse/handle/100/1307-
dc.descriptionComplex 2 DU, optimization-
dc.publisherUniv. Minnesota-
dc.publisherUdG-
dc.relationOriginal title: Sc3+-promoted O–O bond cleavage of a (μ-1,2-peroxo)diiron(III) species formed from an iron(II) precursor and O2 to generate a complex with an FeIV2(μ-O)2 core DOI: 10.1021/JACS.9B12081 Journal: J. Am. Chem. Soc.*
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-4-15-
dc.rightsCC BY 4.0 (c) UdG, 2020-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.subjectDiiron complexes-
dc.titlec2DU_opt-
dc.typedataset-
dc.date.updated2020-01-17T12:06:26Z-
cml.program.nameADFen
cml.program.version2017en
cml.methodDFTen
cml.basissetTZ2Pen
cml.multiplicity1en
cml.spintypeUNrestricteden
cml.charge2en
cml.formula.genericC54H54Fe2N14O3en
cml.calculationtypeGeometry optimization Quilden
cml.hassolventtrueen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
Appears in Collections:Diiron(III)_project - DOI: 10.19061/iochem-bd-4-15

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Please use this identifier to cite or link to this item: https://iochem.udg.edu:8443/browse/handle/100/1307

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