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Manuscript title: Nickel‐Catalyzed P‐Arylation of HP(= O)(R/OR)2 Nucleophiles with (Hetero)Aryl Chlorides Enabled by DalPhos Ligation

Journal: Chem. Eur. J.

DOI: 10.1002/chem.202502189

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DC FieldValueLanguage
dc.contributor.authorNelson, David
dc.date.accessioned2025-09-13T04:36:27Z-
dc.date.available2025-09-13T06:34:43.691871+02:00
dc.date.available2025-09-13T04:36:27Z-
dc.date.created2025-09-13T06:34:43.691871+02:00
dc.date.issued2025-09-13T06:34:43.691871+02:00
dc.identifier.urihttps://iochem-bd.bsc.es/browse/handle/100/478231-
dc.description.abstractNiNMe2PhPAdDalPhos_i2_sp
dc.publisherDepartment of Chemistry, Dalhousie University
dc.relationOriginal title: Nickel‐Catalyzed P‐Arylation of HP(= O)(R/OR)2 Nucleophiles with (Hetero)Aryl Chlorides Enabled by DalPhos Ligation DOI: 10.1002/chem.202502189 Journal: Chem. Eur. J.
dc.relation.ispartofChem. Eur. J.
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-6-575-
dc.relation.urihttp://dx.doi.org/10.1002/chem.202502189
dc.rightsCC BY 4.0 (c) Barcelona Supercomputing Center, 2025
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/
dc.subjectCross-coupling
dc.subjectHomogeneous catalysis
dc.subjectStructure-activity relationships
dc.subjectPhosphorus
dc.subjectNickel
dc.title/CN_PAdDalPhos_pathway/A-i2 NiNMe2PhPAdDalPhos_i2_sp
dc.typedataset
cml.program.nameGaussian
cml.program.version16
cml.program.otherES64L-G16RevC.01
cml.methodRwB97XD
cml.basissetDEF2TZVP
cml.multiplicity1
cml.spintypeRestricted
cml.shelltypeClosed
cml.charge0
cml.energy.value-3946.8164469
cml.energy.unitsEh
cml.formula.genericC38H45NNiO3P2
cml.calculationtypeSingle point Structure
cml.hassolventtrue
cml.hasvibrationalfrequenciesfalse
cml.numberofjobs1
cml.hasmolecularorbitalsfalse
Appears in Collections:Ni_CP_coupling - DOI: 10.19061/iochem-bd-6-575

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