Synthesis, structures, thermal behavior and vapour pressures of new strontium and barium β-diketonate complexes [M(t-BuCOCHCOCF3)2(18-crown-6)] and [M(t-BuCOCHCOC3F7)2(18-crown-6)] (M = Sr, Ba)

The synthesis, characterization, structural studies and thermal investigations of the new complexes [Sr(fod)2(18-crown-6)], [Ba(fod)2(18-crown-6)] (fod = 1,1,1,2,2,3,3-heptafluoro-7,7-dimethyloctane-4,6-dionato), [Sr(pta)2(18-crown-6)] and [Ba(pta)2(18-crown-6)] (pta = 1,1,1-trifluoro-5,5-dimethylhe...

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Bibliographic Details
Published in:	Polyhedron Vol. 177; p. 114263
Main Authors:	Pochekutova, Tatiana S., Khamylov, Vyacheslav K., Fukin, Georgy K., Petrov, Boris I., Shavyrin, Andrey S., Arapova, Alla V., Lazarev, Nikolay M., Faerman, Vladimir I., Kulikova, Tatiana I., Baranov, Evgeny V., Khamaletdinova, Nadia M.
Format:	Journal Article
Language:	English
Published:	Elsevier Ltd 01-02-2020
Subjects:	18-crown-6 Fluorinated β-diketonates Mass spectrometry Molecular invariom Strontium, barium Synthesis Vapour pressure X-ray diffraction Vapour pressure Synthesis Molecular invariom Strontium, barium X-ray diffraction Fluorinated β-diketonates 18-crown-6 Mass spectrometry
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Summary:	The synthesis, characterization, structural studies and thermal investigations of the new complexes [Sr(fod)2(18-crown-6)], [Ba(fod)2(18-crown-6)] (fod = 1,1,1,2,2,3,3-heptafluoro-7,7-dimethyloctane-4,6-dionato), [Sr(pta)2(18-crown-6)] and [Ba(pta)2(18-crown-6)] (pta = 1,1,1-trifluoro-5,5-dimethylhexane-2,4-dionato) were performed. [Display omitted] •Synthesis, X-ray structure analysis and physical properties of the new Strontium and Barium β-diketonate complexes [Sr(pta)2(18-crown-6)], [Ba(pta)2(18-crown-6)], [Sr(fod)2(18-crown-6)], [Ba(fod)2(18-crown-6)].•The chemical bond nature, the charges distribution, and the intermolecular interactions energy for [Ba(fod)2(18-crown-6)] using an approach based on molecular invariom. The monomeric β-diketonate complexes with 18-crown-6 [Sr(pta)2(18C6)] (1), [Sr(fod)2(18C6)] (2) [Ba(fod)2(18C6)] (3), [Ba(pta)2(18C6)] (4) [pta = 1,1,1-trifluoro-5,5-dimethylhexane-2,4-dionato; fod = 1,1,1,2,2,3,3-heptafluoro-7,7-dimethyloctane-4,6-dionato; 18C6 = 18-crown-6 (18-crown-6 = 1,4,7,10,13,16 – hexaoxacyclooctadecane)] were synthesized by the reactions of alkaline-earth metal with 2 eq. of corresponding β-diketone and 1 eq. of 18-crown-6 in ethanol. The solvated complex [Ba(pta)2(18-crown-6)](CH2Cl2) (5) was obtained by recrystallisation of 4 from CH2Cl2 - pentane solution. Complexes 1–4 were characterized by elemental analysis, IR-, 1H, 19F, 13C NMR-spectroscopy and mass-spectrometry. The crystal structures of complexes 1–3 and 5 were investigated by X-ray diffraction analysis. The melting and decomposition ranges of 1–4 have been determined by differential scanning calorimetry. The saturated vapor pressures were measured by Khudsen effusion method in temperature ranges 389–419, 407–435, 394–429, 434–478 K for 1, 2, 3 and 4 respectively, the enthalpies and the entropies of their sublimation are determined. The chemical bond nature, the charges distribution, and the intermolecular interactions energy were investigated in 3 using an approach based on the molecular invariom.
ISSN:	0277-5387
DOI:	10.1016/j.poly.2019.114263