Triple associates based on (oxime)Pt(II) species, 18-crown-6, and water: Synthesis, structural characterization, and DFT study

被引:5
作者
Bulatov, Evgeny Yu. [1 ,2 ]
Chulkova, Tatiana G. [1 ]
Boyarskaya, Irina A. [1 ]
Kondratiev, Veniamin V. [1 ]
Haukka, Matti [2 ]
Kukushkin, Vadim Yu. [1 ]
机构
[1] St Petersburg State Univ, Dept Chem, St Petersburg 198504, Russia
[2] Univ Jyvaskyla, Dept Chem, FI-40014 Jyvaskyla, Finland
关键词
18-Crown-6; OFT studies; Hydrogen bonds; Oxime; Pt(II) complexes; CIRCULAR-DICHROISM SPECTRA; CRYSTAL-STRUCTURE; DENSITY; COMPLEXES;
D O I
10.1016/j.molstruc.2014.04.010
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The associates 2(cis-ptCl(2)(acetoxime)2]).18-crown-6-2H(2)O (1), 2(cis-[PtBr2(acetoxime)(2)])-18-crown-6.2H(2)O (2), and trans-[PtCl2(acetaldoxime)2]center dot(18-crown-6).2H(2)O (3) were synthesized by co-crystallization of free corresponding platinum species and 18-crown-6 from wet solvents and characterized by H-1 NMR and IR spectroscopies, high-resolution mass-spectrometry (ESI), TG/DTA, and X-ray crystallography. The (oxime)Pt(II) species are assembled with 18-crown-6 and water by hydrogen bonding between the hydroxylic hydrogen atoms of the oxime ligands and the oxygen atom of water and between the hydrogen atoms of water and the oxygen atoms of 18-crown-6. In 2(cis-[PtX2(acetoxime)2])center dot 18-crown-6-2H(2)O (where X = Cl (1), Br (2)), the molecule of the crown ether is located between the two cis-[PtX2 (acetoxime)2] species. The associate trans-[PtCl2(acetaldoxime)(2)]center dot(18-crown-6).2H(2)O (3) crystallizes into a 1D array structure. Water molecules play the role of linkers between the (oxime)Pt(II) species and the crown ether molecules. The electronic structures and vibrational frequencies of the triple associates were studied by density functional theory (DFT/B3LYP). (C) 2014 Elsevier B.V. All rights reserved.
引用
收藏
页码:176 / 181
页数:6
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