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Manuscript title: The Effect of Added Ligands on the Reactions of [Ni(COD)(dppf)] with Alkyl Halides: Halide Abstraction may be Reversible

Journal: Organometallics

DOI: 10.1021/acs.organomet.1c00280

Full metadata record
DC FieldValueLanguage
dc.contributor.authorNelson, David-
dc.date.accessioned2021-05-30T07:58:35Z-
dc.date.available2021-05-30T07:58:35Z-
dc.date.created2021-05-30T09:58:33.753+02:00-
dc.date.issued2021-05-30T09:58:33.753+02:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/29605-
dc.descriptiondppf-
dc.publisherAstraZeneca-
dc.publisherUniversity of Strathclyde-
dc.publisherInstitute of Chemical Research of Catalonia-
dc.relationOriginal title: The Effect of Added Ligands on the Reactions of [Ni(COD)(dppf)] with Alkyl Halides: Halide Abstraction may be Reversible DOI: 10.1021/acs.organomet.1c00280 Journal: Organometallics*
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-1-208-
dc.relation.urihttp://dx.doi.org/10.1021/acs.organomet.1c00280*
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2021-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.subjectCross-coupling-
dc.subjectHomogeneous catalysis-
dc.subjectNickel-
dc.subjectHalides-
dc.subjectReaction mechanisms-
dc.title/benchmarking/B3LYP_D3_6_311+Gdp dppf-
dc.typedataset-
dc.date.updated2021-05-30T07:58:35Z-
cml.program.nameGaussianen
cml.program.version16en
cml.program.otherAM64L-G16RevA.03en
cml.methodRB3LYPen
cml.basisset6-311+G(D,P) GENECPen
cml.multiplicity1en
cml.spintypeRestricteden
cml.shelltypeCloseden
cml.charge0en
cml.energy.value-3259.3991942en
cml.energy.unitsEhen
cml.formula.genericC34H28FeP2en
cml.calculationtypeSingle point Structureen
cml.hassolventtrueen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
Appears in Collections:Ni_alkyl_ligands - DOI: 10.19061/iochem-bd-1-208



Please use this identifier to cite or link to this item: https://iochem-bd.iciq.es/browse/handle/100/29605

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