Structure of tri-aqua-tris-(1,1,1-tri-fluoro-4-oxo-pentan-2-olato)cerium(III) as a possible fluorescent compound

三水合三(1,1,1-三氟-4-氧代戊-2-醇根)铈(III)的结构及其作为一种潜在荧光化合物的特性

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Abstract

Luminescence due to the d-f transition of Ce(3+) is quite rare in metal-organic complexes where concentrate quenching frequently occurs. One of the possible ways to avoid this is to design an architecture with elongated metal-metal distances. In the structure of the title complex, tri-aqua-tris-(1,1,1-tri-fluoro-4-oxo-pentan-2-olato-κ(2)O,O')cerium(III), [Ce(C(5)H(4)F(3)O(2))(3)(H(2)O)(3)], the Ce(III) complex is linked to neighbouring ones by hydrogen bonding. Within the complex, the Ce(III) atom is coordinated by nine O atoms from three 1,1,1-tri-fluoro-4-oxo-pentan-2-olate (tfa) anions as bidentate ligands and three water mol-ecules as monodentate ligands. Thus, the coordination number of Ce(III) atom is nine in a monocapped square-anti-prismatic polyhedron. The F atoms of all three independent CF(3) groups in tfa are disordered over two positions with occupancy ratios of about 0.8:0.2. The inter-molecular hydrogen bonds between the ligands involve tfa-water inter-actions along the [110] and [1-10] directions, generating an overall two-dimensional layered network structure. The presence of the F atoms in the tfa anion is responsible for an increased inter-molecular metal-metal distance compared to that in the analogous acetyl-acetonate (acac) derivatives. Fluorescence from Ce(3+) is, however, not observed.

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