dc.contributor.author | Norheim, Hans-Kristian | |
dc.contributor.author | Capar, Jan | |
dc.contributor.author | Einrem, Rune | |
dc.contributor.author | Gagnon, Kevin J. | |
dc.contributor.author | Beavers, Christine | |
dc.contributor.author | Vazquez-Lima, Hugo | |
dc.contributor.author | Ghosh, Abhik | |
dc.date.accessioned | 2016-03-31T14:57:54Z | |
dc.date.available | 2016-03-31T14:57:54Z | |
dc.date.issued | 2015-11-30 | |
dc.description.abstract | The first FeNO octabromocorroles have been synthesized including four β-octabromo-meso-tris(p-X-phenyl)corrole derivatives Fe[Br8TpXPC](NO) (X = CF3, H, CH3, OCH3) and the β-octabromo-meso-tris(pentafluorophenyl)corrole complex, Fe[Br8TPFPC](NO). The last complex, which proved amenable to single-crystal X-ray structure determination, exhibits the geometry parameters: Fe–N(O) 1.643(8) Å, N–O 1.158(9) Å, and a FeNO angle of 176.4(6)°. The more electron-deficient complexes exhibit increased instability with respect to NO loss and also higher infrared NO stretching frequencies (νNO). Interestingly, DFT calculations and IR marker bands indicate a noninnocent {FeNO}7-(corrole˙2−) formulation for all FeNO corroles, both β-H8 and β-Br8, with essentially the same degree of corrole radical character. Instead, an electron-deficient corrole appears to exert a field effect resulting in reduced Fe-to-NO backdonation, which accounts for both the increased instability with respect to NO loss and the higher νNO's. | en_US |
dc.description | Published version. Source at <a href=http://doi.org/10.1039/c5dt03947a>http://doi.org/10.1039/c5dt03947a</a>. | en_US |
dc.identifier.citation | Dalton Transactions 2015, 45(2):681-689 | en_US |
dc.identifier.cristinID | FRIDAID 1321606 | |
dc.identifier.doi | 10.1039/c5dt03947a | |
dc.identifier.issn | 1477-9234 | |
dc.identifier.uri | https://hdl.handle.net/10037/9083 | |
dc.identifier.urn | URN:NBN:no-uit_munin_8646 | |
dc.language.iso | eng | en_US |
dc.publisher | Royal Society of Chemistry | en_US |
dc.relation.projectID | Norges forskningsråd: 231086 | en_US |
dc.rights.accessRights | openAccess | |
dc.subject | VDP::Matematikk og Naturvitenskap: 400::Kjemi: 440 | en_US |
dc.subject | VDP::Matematikk og Naturvitenskap: 400::Kjemi: 440 | en_US |
dc.title | Ligand noninnocence in FeNO corroles: insights from β-octabromocorrole complexes | en_US |
dc.type | Journal article | en_US |
dc.type | Tidsskriftartikkel | en_US |
dc.type | Peer reviewed | en_US |