dc.creator | Alborés, Pablo | |
dc.creator | Rentschler, Eva | |
dc.date.accessioned | 2019-03-19T16:12:30Z | |
dc.date.accessioned | 2022-10-15T13:17:55Z | |
dc.date.available | 2019-03-19T16:12:30Z | |
dc.date.available | 2022-10-15T13:17:55Z | |
dc.date.created | 2019-03-19T16:12:30Z | |
dc.date.issued | 2010-10 | |
dc.identifier | Alborés, Pablo; Rentschler, Eva; Cis -2,2′-bipyrimidine-bridged polynuclear complex: A stairway-like mixed-valent {Fe4} cluster; American Chemical Society; Inorganic Chemistry; 49; 19; 10-2010; 8953-8961 | |
dc.identifier | 0020-1669 | |
dc.identifier | http://hdl.handle.net/11336/72006 | |
dc.identifier | CONICET Digital | |
dc.identifier | CONICET | |
dc.identifier.uri | https://repositorioslatinoamericanos.uchile.cl/handle/2250/4390506 | |
dc.description.abstract | We report the first example of a polynuclear discrete coordination compound exhibiting only bpym bridges and containing a first-row d transition metal. A smooth self-assembly one-pot synthetic route, starting from simply FeCl 2 and FeCl3 hydrates, allowed us to prepare a tetranuclear Fe4 cluster with a stairway-like structure and the formula cis-{[(H2O)Cl3FeIII-μ(bpym)Fe IICl2]}2-μ(bpym) (1). All spectroscopic data suggest that complex 1 is a valence-localized mixed-valent Fe II-FeIII cluster with typical Mössbauer lines for both sites, which do not change with temperature. Reflectance spectroscopy did not allow one to distinguish an intervalence charge-transfer band. However, time-dependent density functional theory (DFT) calculations predict a weak high-energy FeII → FeIII transition. Regarding the magnetic properties, the high-spin FeII and FeIII ions interact in a weakly antiferromagnetic way with isotropic J constants of only a few wavenumbers as derived from direct-current susceptibility and magnetization data. Broken-symmetry DFT calculations support these observations. © 2010 American Chemical Society. | |
dc.language | eng | |
dc.publisher | American Chemical Society | |
dc.relation | info:eu-repo/semantics/altIdentifier/doi/https://dx.doi.org/10.1021/ic1013472 | |
dc.relation | info:eu-repo/semantics/altIdentifier/url/https://pubs.acs.org/doi/abs/10.1021/ic1013472 | |
dc.rights | https://creativecommons.org/licenses/by-nc-sa/2.5/ar/ | |
dc.rights | info:eu-repo/semantics/restrictedAccess | |
dc.subject | Bipyrimidine bridge | |
dc.subject | Tetranuclear | |
dc.subject | Mixed valent | |
dc.subject | Iron | |
dc.title | Cis -2,2′-bipyrimidine-bridged polynuclear complex: A stairway-like mixed-valent {Fe4} cluster | |
dc.type | info:eu-repo/semantics/article | |
dc.type | info:ar-repo/semantics/artículo | |
dc.type | info:eu-repo/semantics/publishedVersion | |