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)

被引：7

作者：

Pochekutova, Tatiana S. ^{[1
]}

Khamylov, Vyacheslav K. ^{[1
]}

Fukin, Georgy K. ^{[1
]}

Petrov, Boris, I ^{[1
]}

Shavyrin, Andrey S. ^{[1
]}

Arapova, Alla, V ^{[1
]}

Lazarev, Nikolay M. ^{[1
]}

Faerman, Vladimir, I ^{[2
]}

Kulikova, Tatiana, I ^{[1
]}

Baranov, Evgeny, V ^{[1
]}

Khamaletdinova, Nadia M. ^{[1
]}

机构：

[1] Russian Acad Sci, GA Razuvaev Inst Organometall Chem, Tropinina Str 49, Nizhnii Novgorod 603950, Russia

[2] Lobachevsky State Univ Nizhny Novgorod, Gagarina Pr 23, Nizhnii Novgorod 603950, Russia

来源：

POLYHEDRON | 2020年 / 177卷

基金：

俄罗斯科学基金会;

关键词：

Strontium; barium; Fluorinated beta-diketonates; 18-crown-6; Synthesis; X-ray diffraction; Molecular invariom; Vapour pressure; Mass spectrometry; X-RAY CRYSTAL; MOLECULAR-ORBITAL METHODS; GAUSSIAN-TYPE BASIS; ELECTRON-DENSITY; VOLATILE BARIUM; COORDINATION-COMPOUNDS; INVARIOM DATABASE; BASIS-SETS; PRECURSORS; CALCIUM;

D O I：

10.1016/j.poly.2019.114263

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

The monomeric 13-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-dimethylocta ne-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 beta-diketone and 1 eq. of 18-crown-6 in ethanol. The solvated complex [Ba (Pta)(2)(18-crown-6)](CH2C12) (5) was obtained by recrystallisation of 4 from CH2Cl2 - pentane solution. Complexes 1-4 were characterized by elemental analysis, IR-, H-1, F-19, C-13 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. (C) 2019 Published by Elsevier Ltd.

引用

页数：11

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