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Manuscript title: Ni-Catalyzed Decarboxylative Silylation of Alkynyl Carbonates: Access to Chiral Allenes via Enantiospecific Conversions

Journal: Org. Lett.

DOI: 10.1021/acs.orglett.1c04086

Full metadata record
DC FieldValueLanguage
dc.contributor.authorVillar-Yanez, Alba-
dc.date.accessioned2021-11-26T20:58:54Z-
dc.date.available2022-01-11T12:02:43Z-
dc.date.created2021-11-26T21:58:53.228+01:00-
dc.date.issued2021-11-26T21:58:53.228+01:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/34248-
dc.descriptionopt + freq B2PLYP(D3BJ)/def2tzv with SMD (Acetonitrile)-
dc.publisherInstitute of Chemical Research of Catalonia-
dc.relationOriginal title: Ni-Catalyzed Decarboxylative Silylation of Alkynyl Carbonates: Access to Chiral Allenes via Enantiospecific Conversions DOI: 10.1021/acs.orglett.1c04086 Journal: Org. Lett.*
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-1-221-
dc.relation.urihttp://dx.doi.org/10.1021/acs.orglett.1c04086*
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2021-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.subjectUV/Vis spectroscopy-
dc.subjectCircular dichroism-
dc.subjectAllenols-
dc.subjectDFT-
dc.subjectEnantioselectivity-
dc.subjectAllenes-
dc.title/Optimized_Structures Molecule_(R)-2,3-allenol-
dc.typedataset-
dc.date.updated2021-11-26T20:58:54Z-
cml.program.nameGaussianen
cml.program.version16en
cml.program.otherAM64L-G16RevA.03en
cml.basissetDEF2TZVen
cml.multiplicity1en
cml.spintypeRestricteden
cml.shelltypeCloseden
cml.charge0en
cml.energy.value-1407.07437137en
cml.energy.unitsEhen
cml.formula.genericC23H30O3Sien
cml.calculationtypeSingle point Structureen
cml.hassolventtrueen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
Appears in Collections:Theoretical_Circular_Dichroism - DOI: 10.19061/iochem-bd-1-221



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