dc.date.accessioned | 2023-11-09T16:20:46Z | |
dc.date.available | 2023-11-09T16:20:46Z | |
dc.date.created | 2023-07-10T12:38:18Z | |
dc.date.issued | 2023 | |
dc.identifier.citation | Holmsen, Marte Sofie Martinsen Vesseur, David García-Rodeja, Yago Miqueu, Karinne Bourissou, Didier . σ-Cyclopropyl to π-Allyl Rearrangement at AuIII. Angewandte Chemie International Edition. 2023 | |
dc.identifier.uri | http://hdl.handle.net/10852/105747 | |
dc.description.abstract | Abstract The possibility for Au III σ‐cyclopropyl complexes to undergo ring‐opening and give π‐allyl complexes was interrogated. The transformation was first evidenced within (P,C)‐cyclometalated complexes, it occurs within hours at −50 °C. It was then generalized to other ancillary ligands. With (N,C)‐cyclometalated complexes, the rearrangement occurs at room temperature while it proceeds already at −80 °C with a dicationic (P,N)‐chelated complex. Density Functional Theory (DFT) calculations shed light on the mechanism of the transformation, a disrotatory electrocyclic ring‐opening. Intrinsic Bond Orbital (IBO) analysis along the reaction profile shows the cleavage of the distal σ(CC) bond to give a π‐bonded allyl moiety. Careful inspection of the structure and bonding of cationic σ‐cyclopropyl complexes support the possible existence of C−C agostic interactions at Au III . | |
dc.language | EN | |
dc.rights | Attribution-NonCommercial-NoDerivatives 4.0 International | |
dc.rights.uri | https://creativecommons.org/licenses/by-nc-nd/4.0/ | |
dc.title | σ-Cyclopropyl to π-Allyl Rearrangement at AuIII | |
dc.title.alternative | ENEngelskEnglishσ-Cyclopropyl to π-Allyl Rearrangement at AuIII | |
dc.type | Journal article | |
dc.creator.author | Holmsen, Marte Sofie Martinsen | |
dc.creator.author | Vesseur, David | |
dc.creator.author | García-Rodeja, Yago | |
dc.creator.author | Miqueu, Karinne | |
dc.creator.author | Bourissou, Didier | |
cristin.unitcode | 185,15,17,1 | |
cristin.unitname | Ansatte SMN | |
cristin.ispublished | true | |
cristin.fulltext | original | |
cristin.qualitycode | 2 | |
dc.identifier.cristin | 2161673 | |
dc.identifier.bibliographiccitation | info:ofi/fmt:kev:mtx:ctx&ctx_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.jtitle=Angewandte Chemie International Edition&rft.volume=&rft.spage=&rft.date=2023 | |
dc.identifier.jtitle | Angewandte Chemie International Edition | |
dc.identifier.volume | 62 | |
dc.identifier.issue | 31 | |
dc.identifier.pagecount | 0 | |
dc.identifier.doi | https://doi.org/10.1002/anie.202305280 | |
dc.type.document | Tidsskriftartikkel | |
dc.type.peerreviewed | Peer reviewed | |
dc.source.issn | 1433-7851 | |
dc.type.version | PublishedVersion | |
cristin.articleid | e202305280 | |