dc.date.accessioned | 2023-03-10T17:56:58Z | |
dc.date.available | 2023-03-10T17:56:58Z | |
dc.date.created | 2022-11-18T13:40:22Z | |
dc.date.issued | 2022 | |
dc.identifier.citation | Michaels, Evridiki Capel Berdiell, Izar Vasili, Hari Babu Pask, Christopher M. Howard, Mark J. Cespedes, Oscar Halcrow, Malcolm A. . Spin-Crossover in a New Iron(II)/Di(pyrazolyl)pyridine Complex with a Terpyridine Embrace Lattice. Thermally Induced Excited Spin State Trapping and Clarification of a Structure-Function Correlation. Crystal Growth & Design. 2022, 22(11), 6809-6817 | |
dc.identifier.uri | http://hdl.handle.net/10852/101230 | |
dc.description.abstract | The complex salts [FeL2]X2 (1X2; L = 2,6-di{4-fluoropyrazol-1-yl}pyridine; X– = BF4– or ClO4–) exhibit abrupt spin-transitions with narrow thermal hysteresis, at T1/2 = 164 K (X– = BF4–) and 148 K (X– = ClO4–). The transition in 1[ClO4]2 is complicated by efficient thermally induced excited spin-state trapping (TIESST) of its high-spin state below ca. 120 K, and the fully low-spin state was achieved only inside the magnetometer at a scan rate of 0.5 K min–1. Crystals of 1[BF4]2 are tetragonal (P421c, Z = 2; phase 1) at 300 K but transform to a highly twinned monoclinic phase 2 (P21, Z = 2) at 285 ± 5 K. These are forms of the “terpyridine embrace” crystal lattice, which often affords cooperative spin-transitions in iron/di(pyrazolyl)pyridine complexes. Phase 2 of high-spin 1[BF4]2 shows a significant temperature dependence by powder diffraction, which reflects increased canting of the monoclinic unit cell as the temperature is lowered. In contrast, 1[ClO4]2 retains phase 2 between 100 and 300 K, and was crystallographically characterized in its thermally trapped metastable high-spin state at 100 K, as well as its thermodynamic high- and low-spin forms at higher temperatures. The spin-crossover transition temperature in 1[ClO4]2 and related compounds correlates well with a parameter describing angular changes to the metal coordination sphere during the transition but not with other commonly used structural indices. The TIESST metastable high-spin state of 1[ClO4]2 shows no single molecule magnet properties at 2 K. | |
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 | Spin-Crossover in a New Iron(II)/Di(pyrazolyl)pyridine Complex with a Terpyridine Embrace Lattice. Thermally Induced Excited Spin State Trapping and Clarification of a Structure-Function Correlation | |
dc.title.alternative | ENEngelskEnglishSpin-Crossover in a New Iron(II)/Di(pyrazolyl)pyridine Complex with a Terpyridine Embrace Lattice. Thermally Induced Excited Spin State Trapping and Clarification of a Structure-Function Correlation | |
dc.type | Journal article | |
dc.creator.author | Michaels, Evridiki | |
dc.creator.author | Capel Berdiell, Izar | |
dc.creator.author | Vasili, Hari Babu | |
dc.creator.author | Pask, Christopher M. | |
dc.creator.author | Howard, Mark J. | |
dc.creator.author | Cespedes, Oscar | |
dc.creator.author | Halcrow, Malcolm A. | |
cristin.unitcode | 185,15,17,0 | |
cristin.unitname | Senter for materialvitenskap og nanoteknologi | |
cristin.ispublished | true | |
cristin.fulltext | original | |
cristin.qualitycode | 2 | |
dc.identifier.cristin | 2076397 | |
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=Crystal Growth & Design&rft.volume=22&rft.spage=6809&rft.date=2022 | |
dc.identifier.jtitle | Crystal Growth & Design | |
dc.identifier.volume | 22 | |
dc.identifier.issue | 11 | |
dc.identifier.startpage | 6809 | |
dc.identifier.endpage | 6817 | |
dc.identifier.doi | https://doi.org/10.1021/acs.cgd.2c00980 | |
dc.type.document | Tidsskriftartikkel | |
dc.type.peerreviewed | Peer reviewed | |
dc.source.issn | 1528-7483 | |
dc.type.version | PublishedVersion | |
dc.relation.project | NFR/301619 | |