Calcium and strontium thiobarbiturates with discrete and polymeric structures


Тип публикации: статья из журнала

Год издания: 2013

Идентификатор DOI: 10.1080/00958972.2013.860450

Ключевые слова: Calcium, Strontium, 2-Thiobarbituric acid, Crystal structure, Thermal decomposition, IR spectroscopy

Аннотация: Three new alkaline earth metal complexes, [Ca-2(H2O)(8)((2)-HTBA-O,O)(2)(HTBA-O)(2)] (1), [Ca(H2O)(5)(HTBA-O)(2)]<bold>2</bold>H2O (2), and [Sr(H2O)(4)((2)-HTBA-O,S)(2)](n) (3) (H(2)TBA=2-thiobarbituric acid, C4H4N2O2S), were synthesized and characterized by FT-IR spectroscopy, TG-DSC, and single-crystal and powder X-ray diffractioПоказать полностьюn analysis. The single-crystal X-ray diffraction data revealed that 1 and 2 are discrete structures, whereas 3 is a polymer. In 1 and 2, Ca2+ is seven-coordinate and forms a monocapped trigonal prism. In 1, the prisms are pairwise connected with the assistance of two [(2)-HTBA-O,O](-) ligands. In 3, Sr2+ is coordinated by four monodentate HTBA(-) via S or O donors and four waters, with the formation of a distorted square antiprism. The antiprisms are connected by (2)-O,S bridging HTBA(-). Hydrogen bonding involving coordinated water and - interactions plays an important role in construction of the supramolecular 3-D structures in 1-3. Infrared spectroscopic data supported the structural data. The thermal stability of 1-3 decreases in the order 1>2>3. Dehydration of 1-3 was a multi-step process, followed by exothermic oxidative degradation of the 2-thiobarbiturate moiety between 290 and 800 degrees C.

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Выпуск журнала: Vol. 66, Is. 23

Номера страниц: 4119-4130

ISSN журнала: 00958972

Место издания: ABINGDON



  • Golovnev N.N. (Siberian Fed Univ, Dept Chem, Krasnoyarsk, Russia)
  • Molokeev M.S. (LV Kirenskii Inst Phys, Lab Crystal Phys, Krasnoyarsk 660036, Russia)
  • Vereshchagin S.N. (Inst Chem & Chem Technol, Lab Catalyt Convers Small Mol, Krasnoyarsk, Russia)
  • Atuchin V.V. (Russian Acad Sci, Inst Semicond Phys, Lab Opt Mat & Struct, Novosibirsk 630090, Russia)