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Manuscript title: Characterization of a Ferryl Flip in Electronically Tuned Nonheme Complexes. Consequences in Hydrogen Atom Transfer Reactivity

Journal: Angew. Chem. Int. Ed.

DOI: 10.1002/anie.202211361

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DC FieldValueLanguage
dc.contributor.authorBesalú-Sala, Pau-
dc.coverage.spatialES Girona-
dc.date.accessioned2022-07-05T16:20:30Z-
dc.date.available2022-07-05T16:20:30Z-
dc.date.created2022-07-05T18:20:28.935+02:00-
dc.date.issued2022-07-05T18:20:28.935+02:00-
dc.identifier.urihttps://iochem.udg.edu:8443/browse/handle/100/3672-
dc.description2a-catalyst-
dc.publisherUniversity of Girona-
dc.relationOriginal title: Characterization of a Ferryl Flip in Electronically Tuned Nonheme Complexes. Consequences in Hydrogen Atom Transfer Reactivity DOI: 10.1002/anie.202211361 Journal: Angew. Chem. Int. Ed.*
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-4-41-
dc.relation.urihttp://dx.doi.org/10.1002/anie.202211361*
dc.rightsCC BY 4.0 (c) UdG, 2022-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.subjectIsomerization-
dc.subjectC-H activation-
dc.title2a-catalyst-
dc.typedataset-
dc.date.updated2022-07-05T16:20:30Z-
cml.program.nameGaussianen
cml.program.version16en
cml.program.otherES64L-G16RevA.03en
cml.methodUM06Len
cml.basissetDEF2SVPen
cml.multiplicity3en
cml.spintypeUnrestricteden
cml.charge2en
cml.energy.value-2237.4478241en
cml.energy.unitsEhen
cml.formula.genericC16H27FeN5Oen
cml.calculationtypeSingle point Structureen
cml.hassolventfalseen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
Appears in Collections:Ferryl_shift - DOI: 10.19061/iochem-bd-4-41



Please use this identifier to cite or link to this item: https://iochem.udg.edu/browse/handle/100/3672

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