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

Acta Crystallogr E Crystallogr Commun. 2018 Jan 26;74(Pt 2):229-232. doi: 10.1107/S2056989018001135. eCollection 2018 Feb 1.

Abstract

Luminescence due to the d-f transition of Ce3+ 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-κ2O,O')cerium(III), [Ce(C5H4F3O2)3(H2O)3], the CeIII complex is linked to neighbouring ones by hydrogen bonding. Within the complex, the CeIII 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 CeIII atom is nine in a monocapped square-anti-prismatic polyhedron. The F atoms of all three independent CF3 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 Ce3+ is, however, not observed.

Keywords: 1,1,1-tri­fluoro­acetyl­acetone; cerium complex; crystal structure; fluorescence.

Grants and funding

This work was funded by Ministry of Education, Culture, Sports, Science and Technology grants 17H03124 and 17H03386.