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dc.contributor.authorBrown, Zachary
dc.contributor.authorVasko, Petra
dc.contributor.authorErickson, Jeremy
dc.contributor.authorFettinger, James
dc.contributor.authorTuononen, Heikki
dc.contributor.authorPower, Philip
dc.date.accessioned2015-12-01T07:31:42Z
dc.date.available2015-12-01T07:31:42Z
dc.date.issued2013
dc.identifier.citationBrown, Z., Vasko, P., Erickson, J., Fettinger, J., Tuononen, H., & Power, P. (2013). Mechanistic Study of Stepwise Methylisocyanide Coupling and C-H Activation Mediated by a Low-Valent Main Group Molecule. <i>Journal of the American Chemical Society</i>, <i>135</i>(16), 6257-6261. <a href="https://doi.org/10.1021/ja4003553" target="_blank">https://doi.org/10.1021/ja4003553</a>
dc.identifier.otherCONVID_22469368
dc.identifier.otherTUTKAID_56941
dc.identifier.urihttps://jyx.jyu.fi/handle/123456789/47896
dc.description.abstractAn experimental and DFT investigation of the mechanism of the coupling of methylisocyanide and C–H activation mediated by the germylene (germanediyl) Ge(ArMe6)2 (ArMe6 = C6H3-2,6(C6H2-2,4,6-Me3)2) showed that it proceeded by initial MeNC adduct formation followed by an isomerization involving the migratory insertion of the MeNC carbon into the Ge–C ligand bond. Addition of excess MeNC led to sequential insertions of two further MeNC molecules into the Ge–C bond. The insertion of the third MeNC leads to methylisocyanide methyl group C–H activation to afford an azagermacyclopentadienyl species. The X-ray crystal structures of the 1:1 (ArMe6)2GeCNMe adduct, the first and final insertion products (ArMe6)tiebar above startGeC(tiebar above endNMe)ArMe6 and (ArMe6)tiebar above startGeC(NHMe)C(NMe)C(ArMe6)tiebar above endNMe were obtained. The DFT calculations on the reaction pathways represent the first detailed mechanistic study of isocyanide oligomerization by a p-block element species.
dc.language.isoeng
dc.publisherAmerican Chemical Society
dc.relation.ispartofseriesJournal of the American Chemical Society
dc.subject.otherpääryhmien yhdisteet
dc.subject.otherreaktiomekanismin tutkiminen
dc.subject.othermain group molecule
dc.subject.othermechanistic study
dc.titleMechanistic Study of Stepwise Methylisocyanide Coupling and C-H Activation Mediated by a Low-Valent Main Group Molecule
dc.typearticle
dc.identifier.urnURN:NBN:fi:jyu-201511243790
dc.contributor.laitosKemian laitosfi
dc.contributor.laitosDepartment of Chemistryen
dc.contributor.oppiaineEpäorgaaninen ja analyyttinen kemiafi
dc.contributor.oppiaineInorganic and Analytical Chemistryen
dc.type.urihttp://purl.org/eprint/type/JournalArticle
dc.date.updated2015-11-24T13:15:03Z
dc.type.coarhttp://purl.org/coar/resource_type/c_2df8fbb1
dc.description.reviewstatuspeerReviewed
dc.format.pagerange6257-6261
dc.relation.issn0002-7863
dc.relation.numberinseries16
dc.relation.volume135
dc.type.versionacceptedVersion
dc.rights.copyright© 2013 American Chemical Society. This is a final draft version of an article whose final and definitive form has been published by ACS. Published in this repository with the kind permission of the publisher.
dc.rights.accesslevelopenAccessfi
dc.relation.doi10.1021/ja4003553
dc.type.okmA1


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