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dc.contributor.authorBrzozowska, Aleksandra
dc.contributor.authorAzofra, Luis Miguel
dc.contributor.authorZubar, Viktoriia
dc.contributor.authorAtodiresei, Iuliana
dc.contributor.authorCavallo, Luigi
dc.contributor.authorRueping, Magnus
dc.contributor.authorEl-Sepelgy, Osama
dc.date.accessioned2018-04-16T11:27:42Z
dc.date.available2018-04-16T11:27:42Z
dc.date.issued2018-03-30
dc.identifier.citationBrzozowska A, Azofra LM, Zubar V, Atodiresei I, Cavallo L, et al. (2018) Highly Chemo- and Stereoselective Transfer Semihydrogenation of Alkynes Catalyzed by a Stable, Well-Defined Manganese(II) Complex. ACS Catalysis: 4103–4109. Available: http://dx.doi.org/10.1021/acscatal.8b00983.
dc.identifier.issn2155-5435
dc.identifier.issn2155-5435
dc.identifier.doi10.1021/acscatal.8b00983
dc.identifier.urihttp://hdl.handle.net/10754/627512
dc.description.abstractThe first example of manganese catalyzed semihydrogenation of internal alkynes to (Z)-alkenes using ammonia borane as a hydrogen donor is reported. The reaction is catalyzed by a pincer complex of the earth abundant manganese(II) salt in the absence of any additives, base or super hydride. The ammonia borane smoothly reduces the manganese pre-catalyst [Mn(II)-PNP][Cl]2 to the catalytically active species [Mn(I)-PNP]-hydride in the triplet spin state. This manganese hydride is highly stabilized by complexation with the alkyne substrate. Computational DFT analysis studies of the reaction mechanism rationalizes the origin of stereoselectivity towards formation of (Z)-alkenes.
dc.description.sponsorshipL.M.A. and L.C., acknowledge King Abdullah University of Science and Technology (KAUST) for support. Gratitude is also due to the KAUST Supercomputing Laboratory using the supercomputer Shaheen II for providing the computational resources.
dc.publisherAmerican Chemical Society (ACS)
dc.relation.urlhttps://pubs.acs.org/doi/10.1021/acscatal.8b00983
dc.rightsThis document is the Accepted Manuscript version of a Published Work that appeared in final form in ACS Catalysis, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see https://pubs.acs.org/doi/10.1021/acscatal.8b00983.
dc.titleHighly Chemo- and Stereoselective Transfer Semihydrogenation of Alkynes Catalyzed by a Stable, Well-defined Manganese(II) Complex
dc.typeArticle
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Division
dc.contributor.departmentChemical Science Program
dc.contributor.departmentKAUST Catalysis Center (KCC)
dc.identifier.journalACS Catalysis
dc.eprint.versionPost-print
dc.contributor.institutionInstitute of Organic Chemistry, RWTH Aachen University, Landoltweg 1, 52074 Aachen, Germany
kaust.personAzofra, Luis Miguel
kaust.personCavallo, Luigi
kaust.personRueping, Magnus


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