Avoiding Magnetochemical Overparametrization, Exemplified by One-Dimensional Chains of Hexanuclear Iron(III) Pivalate Clusters

TitleAvoiding Magnetochemical Overparametrization, Exemplified by One-Dimensional Chains of Hexanuclear Iron(III) Pivalate Clusters
Publication TypeJournal Article
Year of Publication2013
AuthorsBaca SG, Secker T, Mikosch A, Speldrich M, van Leusen J, Ellern A, Kogerler P
Journal TitleInorganic Chemistry
Volume52
Pages4154-4156
Date Published04
Type of ArticleArticle
ISBN Number0020-1669
Accession NumberWOS:000317712000012
Keywords1d, carboxylate, coordination networks, magnetic-properties
Abstract

One-dimensional chain coordination polymers based on hexanuclear iron(III) pivalate building blocks and 1,4-dioxane (diox) or 4,4'-bipyridine (4,4'-bpy) bridging ligands, [Fe6O2(O2CH2)(O2CCMe3)(12)(diox)](n) (1) and [Fe6O2(O2CH2)(O2CCMe3)(12)(4,4'-bpy)](n), (2), showcase the utility of the angular overlap model, implemented in the program wxJFinder, in the predictive identification of the relative role of intra- and intercluster coupling.

URL<Go to ISI>://WOS:000317712000012
DOI10.1021/ic4003884