dc.creatorAlborés, Pablo
dc.creatorRentschler, Eva
dc.date.accessioned2019-03-19T16:12:30Z
dc.date.accessioned2022-10-15T13:17:55Z
dc.date.available2019-03-19T16:12:30Z
dc.date.available2022-10-15T13:17:55Z
dc.date.created2019-03-19T16:12:30Z
dc.date.issued2010-10
dc.identifierAlborés, 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.identifier0020-1669
dc.identifierhttp://hdl.handle.net/11336/72006
dc.identifierCONICET Digital
dc.identifierCONICET
dc.identifier.urihttps://repositorioslatinoamericanos.uchile.cl/handle/2250/4390506
dc.description.abstractWe 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.languageeng
dc.publisherAmerican Chemical Society
dc.relationinfo:eu-repo/semantics/altIdentifier/doi/https://dx.doi.org/10.1021/ic1013472
dc.relationinfo:eu-repo/semantics/altIdentifier/url/https://pubs.acs.org/doi/abs/10.1021/ic1013472
dc.rightshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.rightsinfo:eu-repo/semantics/restrictedAccess
dc.subjectBipyrimidine bridge
dc.subjectTetranuclear
dc.subjectMixed valent
dc.subjectIron
dc.titleCis -2,2′-bipyrimidine-bridged polynuclear complex: A stairway-like mixed-valent {Fe4} cluster
dc.typeinfo:eu-repo/semantics/article
dc.typeinfo:ar-repo/semantics/artículo
dc.typeinfo:eu-repo/semantics/publishedVersion


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