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Manuscript title: Accelerated Ru‐Cu trinuclear cooperative C‐H bond functionalization of carbazoles: a kinetic and computational investigation

Journal: Chem. Eur. J.

DOI: 10.1002/chem.201802886

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DC FieldValueLanguage
dc.contributor.authorFunes-Ardoiz, Ignacio-
dc.date.accessioned2018-07-13T13:26:40Z-
dc.date.available2018-07-13T13:26:40Z-
dc.date.created2018-07-13T15:26:38.768+02:00-
dc.date.issued2018-07-13T15:26:38.768+02:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/9947-
dc.description12t-
dc.publisherInstitute of Chemical Research of Catalonia-
dc.relationOriginal title: Accelerated Ru‐Cu trinuclear cooperative C‐H bond functionalization of carbazoles: a kinetic and computational investigation DOI: 10.1002/chem.201802886 Journal: Chem. Eur. J.*
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-1-86-
dc.relation.urihttp://dx.doi.org/10.1002/chem.201802886-
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2018-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.subjectCopper-
dc.subjectCoupling reaction-
dc.subjectOxidation-
dc.subjectRuthenium-
dc.title12t-
dc.typedataset-
dc.date.updated2018-07-13T13:26:40Z-
cml.program.nameGaussianen
cml.program.version09en
cml.program.otherEM64L-G09RevD.01en
cml.methodUB97Den
cml.basisset6-311++G**en
cml.multiplicity3en
cml.spintypeUnrestricteden
cml.shelltypeopenen
cml.charge0en
cml.energy.value-2401.32022774en
cml.energy.unitsEhen
cml.formula.genericC12H16Cl2Cu2O7Ruen
cml.calculationtypeSingle point Structureen
cml.hassolventtrueen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
Appears in Collections:Ru_homocoupling_iochemAccelerated Ru‐Cu trinuclear cooperative C‐H bond functionalization of carbazoles: a kinetic and computational investigation



Please use this identifier to cite or link to this item: https://iochem-bd.iciq.es/browse/handle/100/9947

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