The cis-trans isomer transformation, spectroscopic and thermal properties of Li, Na, K 1,3-diethyl-2-thiobarbiturate complexes


Тип публикации: статья из журнала

Год издания: 2015

Идентификатор DOI: 10.1016/j.poly.2014.09.011

Ключевые слова: 1,3-Diethyl-2-thiobarbituric acid, Alkali ions, X-ray diffraction, Infrared spectroscopy, Thermal analysis, 1 3-Diethyl-2-thiobarbituric acid

Аннотация: Three new complexes of 1,3-diethyl-2-thiobarbituric acid (C8H11N2O2S, HDETBA) with Li+, Na+, K+ alkali ions were synthesized. The complexes have been prepared by neutralization of 1,3-diethyl-2-thiobarbituric acid with the corresponding metal hydroxide in aqueous solution. The colorless crystals have been investigated using X-ray sПоказать полностьюingle crystal and powder techniques and characterized by differential scanning calorimetry, thermogravimetry and infrared spectroscopy. The compounds of MDETBA with M = Li and M = Na crystallize in the monoclinic lattice with a = 10.678(1) angstrom, b = 7.2687(9) angstrom, c = 13.202(2) angstrom, beta=108.841(2)degrees, Z = 4, V = 969.8(2) angstrom(3), S.G. P2(1)/n and a = 10.534(2) angstrom, b = 7.604(1) angstrom, c = 14.186(1) angstrom, beta = 108.964(4), Z = 4, V 1074.6(3) angstrom(3), S.G. P2(1)/n, respectively. Compound KDETBA crystallizes in the orthorhombic lattice with a = 4.2541(6) angstrom, b = 14.739(2) angstrom, c = 16.635(3) angstrom, Z = 4, V 1043.1(3) angstrom(3), S.G. P2(1)2(1)2(1). In Li(I) and Na(I) complexes, the DETBA(-) ion is in cis-configuration and, in the K(I) complex, this ion is in trans-configuration. The reason for the transformation from cis- to trans-configuration has been rationalized. (C) 2014 Elsevier Ltd. All rights reserved.

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Выпуск журнала: Vol. 85

Номера страниц: 493-498

ISSN журнала: 02775387

Место издания: OXFORD



  • Golovnev Nicolay N. (Siberian Fed Univ, Dept Chem, Krasnoyarsk 660041, Russia)
  • Molokeev Maxim S. (SB RAS, Kirensky Inst Phys, Lab Crystal Phys, Krasnoyarsk 660036, Russia)
  • Vereshchagin Sergey N. (SB RAS, Inst Chem & Chem Technol, Lab Catalyt Convers Small Mol, Krasnoyarsk 660036, Russia)
  • Sterkhova Irina V. (SB RAS, Irkutsk Favorsky Inst Chem, Phys Chem Lab, Irkutsk 664033, Russia)
  • Atuchin Victor V. (Inst Semicond Phys, Lab Opt Mat & Struct, Novosibirsk 630090, Russia; Tomsk State Univ, Funct Elect Lab, Tomsk 634050, Russia; Novosibirsk State Univ, Lab Semicond & Dielect Mat, Novosibirsk 630090, Russia)