Mechanistic details for oxidative addition of PhICl<sub>2</sub> to gold(i) complexes
| dc.contributor.author | Shiri, Farshad | en |
| dc.contributor.author | Ariafard, Alireza | en |
| dc.date.accessioned | 2025-12-17T07:40:57Z | |
| dc.date.available | 2025-12-17T07:40:57Z | |
| dc.date.issued | 2023-03-22 | en |
| dc.description.abstract | This study demonstrates that the oxidative addition of hypervalent iodine PhICl2 to Au(i) complexes LAuAr follows an unprecedented stepwise mechanism. The energy of the Au(i) dx2−y2 orbital determines the ease of the oxidative addition reaction; the fewer electron-withdrawing substituents present on the Ar ligand, the higher the energy of the dx2−y2 orbital and the easier the oxidative addition. | en |
| dc.description.sponsorship | We thank the Australian Research Council (ARC) for project funding (DP180100904) and the Australian National Computational Infrastructure and University of Tasmania for the generous allocation of computing time. | en |
| dc.description.status | Peer-reviewed | en |
| dc.format.extent | 4 | en |
| dc.identifier.issn | 1359-7345 | en |
| dc.identifier.other | PubMed:36994794 | en |
| dc.identifier.other | ORCID:/0000-0003-2383-6380/work/198105695 | en |
| dc.identifier.scopus | 85151851055 | en |
| dc.identifier.uri | https://hdl.handle.net/1885/733795700 | |
| dc.language.iso | en | en |
| dc.provenance | https://openpolicyfinder.jisc.ac.uk/id/publication/18003?from=single_hit..."The Accepted Version can be archived in an Institutional Repository. 12 months embargo. CC BY " from SHERPA/RoMEO site (as at 16/12/2025). | en |
| dc.rights | © 2023 The Author(s) | en |
| dc.source | Chemical Communications | en |
| dc.title | Mechanistic details for oxidative addition of PhICl<sub>2</sub> to gold(i) complexes | en |
| dc.type | Journal article | en |
| dspace.entity.type | Publication | en |
| local.bibliographicCitation.lastpage | 4671 | en |
| local.bibliographicCitation.startpage | 4668 | en |
| local.contributor.affiliation | Shiri, Farshad; Islamic Azad University | en |
| local.contributor.affiliation | Ariafard, Alireza; Islamic Azad University | en |
| local.identifier.citationvolume | 59 | en |
| local.identifier.doi | 10.1039/d3cc00543g | en |
| local.identifier.pure | 23f32042-b746-4e76-a838-a4abe36d02f5 | en |
| local.identifier.url | https://www.scopus.com/pages/publications/85151851055 | en |
| local.type.status | Published | en |
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