The Homoleptic Square-Antiprismatic Chelate Tetrakis(3-acetyl-2,4-pentanedionato)zirconium(IV): A Promising Coordination Motif for Tetrahedral Metal-Organic Frameworks

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• 作者：Daniel M. Tö ; bbens ; Reinhard Kaindl ; Volker Kahlenberg ; Herwig Schottenberger ; and Michael Hummel
• 刊名：Crystal Growth & Design
• 出版年：2006
• 出版时间：July 2006
• 年：2006
• 卷：6
• 期：7
• 页码：1720 - 1725
• 全文大小：362K
• 年卷期：v.6,no.7(July 2006)
• ISSN：1528-7505

文摘

The novel analogue of the parent Zr(acac)₄ complex, tetrakis(3-acetyl-2,4-pentanedionato)zirconium(IV), Zr[C₇O₃H₉]₄,has been synthesized straightforwardly by a salt-free methodology and was characterized by a number of complementary methods(¹H NMR, ¹³C NMR, IR, and bulk density). From polycrystalline material, X-ray powder diffractograms and micro-Raman spectrawere obtained and are discussed in detail. The crystal structure was determined from laboratory X-ray powder diffraction data bysimulated annealing and subsequently refined with the Rietveld technique. The compound is monoclinic with space group P2/c. Zr,residing on a crystallographic 2-fold rotation axis, is coordinated by the four chelating ligands forming a square-antiprismaticcoordination polyhedron. Differences and similarities to zirconium(IV)acetylacetonate, Zr[C₅O₂H₇]₄, and other similar complexesare discussed, addressing the conformational rigidity of this symmetrically substituted homoleptic acac complex.