dc.date.accessioned | 2024-04-03T15:56:01Z | |
dc.date.available | 2024-04-03T15:56:01Z | |
dc.date.created | 2024-01-02T11:40:02Z | |
dc.date.issued | 2023 | |
dc.identifier.citation | Atsumi, Michiko Pyykkö, Pekka . 10-Valence-Electron C≡O and the 14-VE C≡Pt: Two Triple-Bonded Isoelectronic Families Differing by a dδ4 Ring. Inorganic Chemistry. 2023, 62(51), 21083-21090 | |
dc.identifier.uri | http://hdl.handle.net/10852/110293 | |
dc.description.abstract | 10-VE A≡A′ Diatomics, such as N≡N, C≡O, etc., have a strong σ2π4 triple bond plus a lone pair at each end. In our studies on 14-VE A≡B systems, such as C≡Pt, we find a similar bonding system plus a (5dδ)4 ring. Here, the A atom belongs to groups 13–17 and the B atom to groups 7–11. Also the BB′ combinations, triatomics, such as PtCO or DsCO or uranyl, and longer chains, such as AuCN and [NC-Au-CN]−, are discussed. The δ ring directly contributes to nuclear quadrupole coupling constants, and DFT calculations using the BH and H or mPW1K functionals reproduce the experimental trends of the NQCC. | |
dc.language | EN | |
dc.publisher | ACS Publications | |
dc.rights | Attribution 4.0 International | |
dc.rights.uri | https://creativecommons.org/licenses/by/4.0/ | |
dc.title | 10-Valence-Electron C≡O and the 14-VE C≡Pt: Two Triple-Bonded Isoelectronic Families Differing by a dδ4 Ring | |
dc.title.alternative | ENEngelskEnglish10-Valence-Electron C≡O and the 14-VE C≡Pt: Two Triple-Bonded Isoelectronic Families Differing by a dδ4 Ring | |
dc.type | Journal article | |
dc.creator.author | Atsumi, Michiko | |
dc.creator.author | Pyykkö, Pekka | |
cristin.unitcode | 185,15,12,0 | |
cristin.unitname | Kjemisk institutt | |
cristin.ispublished | true | |
cristin.fulltext | original | |
cristin.qualitycode | 2 | |
dc.identifier.cristin | 2218794 | |
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=Inorganic Chemistry&rft.volume=62&rft.spage=21083&rft.date=2023 | |
dc.identifier.jtitle | Inorganic Chemistry | |
dc.identifier.volume | 62 | |
dc.identifier.issue | 51 | |
dc.identifier.startpage | 21083 | |
dc.identifier.endpage | 21090 | |
dc.identifier.doi | https://doi.org/10.1021/acs.inorgchem.3c02889 | |
dc.type.document | Tidsskriftartikkel | |
dc.type.peerreviewed | Peer reviewed | |
dc.source.issn | 0020-1669 | |
dc.type.version | PublishedVersion | |
dc.relation.project | NFR/262695 | |