ic010776g_si_001.cif (47.47 kB)

Isolation and Structural Characterization of Tetra-n-propyl Zirconate in Hydrocarbon Solution and the Solid State

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posted on 29.10.2001 by Victor W. Day, Walter G. Klemperer, Margaret Mary Pafford
Tetra-n-propyl zirconate has been purified by vacuum distillation and isolated as an extremely moisture sensitive, crystalline solid. According to a single-crystal X-ray diffraction study, crystalline tetra-n-propyl zirconate is composed of tetrameric Zr4(OPrn)16 (1) molecules whose Zr4O16 metal−oxygen core structure has virtual C2h symmetry, the same structure observed previously for n-alkyl orthotitanates. Carbon-13 NMR spectroscopic data indicate that this core structure is retained in hydrocarbon solution. Molecule 1 has the same M4O16 metal−oxygen core structure as [CH3C(CH2O)3]2M4(OPri)10, M = Ti, where the metal centers have octahedral coordination geometry, but a metal−oxygen core structure different from that of the M = Zr case, where trigonal metaprismatic coordination geometry is observed.