Barium bis(5,5-dimethyl-1,1,1-trifluorohexane-2,4-dionate)(crown-ether) complexes: Synthesis, characterization and crystal structure

The preparation of the barium β-diketonate complexes with crown-ethers [Ba(pta)2(18-crown-6)] (1), [Ba(pta)2(18-crown-6)] (THF) (2), [Ba(pta)2(18-dibenzocrown-6)](C6H5CH3) (3), [Ba(pta)2(18-dibenzocrown-6)] (4) (pta = 1,1,1-trifluoro-5,5-dimethylhexanedionato-2,4; 18-crown-6 = 1,4,7,10,13,16-hexaoxacyclooctadecane; 18-dibenzocrown-6 = 6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]-hexaoxacyclooctadecane) is described. The complexes 1 and 2 have been synthesized from reaction of metallic barium with 2 molar equiv. of Hpta and 1 molar equiv. of 18-crown-6 in toluene; the complexes 3 and 4 from reaction of Ba(OH)2·8H2O with 1 molar equiv. 18-dibenzocrown-6 and 2 molar equiv. Hpta. The complexes were characterized by elemental analyses, IR-spectroscopy, 1H NMR spectroscopy. The crystal structures of 2 and 3 were determined by means of single-crystal X-ray diffraction methods. A single-crystal X-ray study of 2 and 3 has shown it be monomeric. The coordination number of Barium cation in 2 and 3 is nine owing to nine oxygen atoms from two pta ligands and crown-ether molecule.

The preparation of the barium β-diketonate complexes with crown-ethers [Ba(pta)2(18-crown-6)] (1), [Ba(pta)2(18-crown-6)] (THF) (2), [Ba(pta)2(18-dibenzocrown-6)](C6H5CH3) (3), [Ba(pta)2(18-dibenzocrown-6)] (4) (pta=1,1,1-trifluoro-5,5-dimethylhexanedionato-2,4 ; 18-crown-6 = 1,4,7,10,13,16-hexaoxacyclooctadecane; 18-dibenzocrown-6 = 6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]- hexaoxacyclooctadecane) is described. The complexes were characterized by elemental analyses, IR-spectroscopy, 1H NMR spectroscopy. The crystal structures of 2,3 were determined by means of single-crystal X-ray diffraction methods.Figure optionsDownload as PowerPoint slide