dc.date.accessioned | 2018-09-11T12:53:25Z | |
dc.date.available | 2018-09-11T12:53:25Z | |
dc.date.created | 2017-09-07T15:51:21Z | |
dc.date.issued | 2017 | |
dc.identifier.citation | Valiev, Rashid R. Fliegl, Heike Sundholm, Dage . Closed-shell paramagnetic porphyrinoids. Chemical Communications. 2017, 53(71), 9866-9869 | |
dc.identifier.uri | http://hdl.handle.net/10852/64626 | |
dc.description.abstract | Magnetizabilities and magnetically induced ring-current strength susceptibilities have been calculated at the Hartree–Fock, density functional theory and second order Møller–Plesset levels for a number of antiaromatic closed-shell carbaporphyrins, carbathiaporphyrins and isophlorins. The calculations yield a linear relation between magnetizabilities and ring-current strength susceptibilities. The calculations show that the porphyrinoids with the largest ring-current strength susceptibility are closed-shell paramagnetic molecules with positive magnetizabilities. The closed-shell paramagnetism is due to the large paramagnetic contribution to the magnetizability originating from the strong paratropic ring current in the antiaromatic porphyrinoids. | en_US |
dc.language | EN | |
dc.publisher | RSC Publishing | |
dc.rights | Attribution-NonCommercial 3.0 Unported | |
dc.rights.uri | https://creativecommons.org/licenses/by-nc/3.0/ | |
dc.title | Closed-shell paramagnetic porphyrinoids | en_US |
dc.type | Journal article | en_US |
dc.creator.author | Valiev, Rashid R. | |
dc.creator.author | Fliegl, Heike | |
dc.creator.author | Sundholm, Dage | |
cristin.unitcode | 185,15,12,40 | |
cristin.unitname | Senter for teoretisk og beregningsbasert kjemi | |
cristin.ispublished | true | |
cristin.fulltext | original | |
cristin.qualitycode | 1 | |
dc.identifier.cristin | 1491853 | |
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=Chemical Communications&rft.volume=53&rft.spage=9866&rft.date=2017 | |
dc.identifier.jtitle | Chemical Communications | |
dc.identifier.volume | 53 | |
dc.identifier.issue | 71 | |
dc.identifier.startpage | 9866 | |
dc.identifier.endpage | 9869 | |
dc.identifier.doi | http://dx.doi.org/10.1039/c7cc05232d | |
dc.identifier.urn | URN:NBN:no-67162 | |
dc.type.document | Tidsskriftartikkel | en_US |
dc.type.peerreviewed | Peer reviewed | |
dc.source.issn | 1359-7345 | |
dc.identifier.fulltext | Fulltext https://www.duo.uio.no/bitstream/handle/10852/64626/1/c7cc05232d.pdf | |
dc.type.version | PublishedVersion | |
dc.relation.project | NFR/231571 | |
dc.relation.project | NFR/179568 | |
dc.relation.project | NOTUR/NORSTORE/NN4654K | |