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Journal of Structural Chemistry

2017 year, number 3

CRYSTAL STRUCTURE AND PROPERTIES OF POLYMERIC HEXAAQUA-hexakis-(2-THIOBARBITURATO)-DISAMARIUM(III)

N. N. Golovnev1, M. S. Molokeev2,3, I. V. Sterkhova4, S. N. Vereshchagin5, I. I. Golovneva6
1Siberian Federal University, Krasnoyarsk, Russia
2Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk, Russia
3Far Eastern State Transport University, Khabarovsk, Russia
4Favorsky Institute of Chemistry, Siberian Branch, Russian Academy of Sciences, Irkutsk, Russia
5Institute of Chemistry and Chemical Technology, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk, Russia
6Krasnoyarsk State Agrarian University, Krasnoyarsk, Russia
Keywords: структура, синтез, комплекс, 2-тиобарбитуровая кислота, самарий(III), термическое разложение, ИК спектр, structure, synthesis, complex, 2-thiobarbituric acid, samarium(III), thermal decomposition, IR spectrum

Abstract

The structure (CIF file CCDC No. 1401886) of the hexaaqua-hexakis(2-thiobarbiturato)-disamarium [Sm2(H2O)6(HTBA)6] n polymeric complex (I), where H2ТВА is 2-thiobarbituric acid, is determined; its thermal decomposition and IR spectrum are studied. The crystals of I are monoclinic: a = 14.072(1) Å, b = 10.0842(6) Å, c = 15.323(1) Å, β = 110.408(2)°, V = 2037.9(2) Å3, space group P2/n, Z = 2. All three independent thiobarbiturate anions HTBA- coordinate to Sm3+ through oxygen atoms. To one of independent Sm3+ ions six (two terminal and four bridging) HTBA- ions and two water molecules are coordinated; the second is bonded with four bridging HTBA- and four water molecules, forming square antiprisms. The bridging HТВА- anions arrange antiprisms in layers. The structure is stabilized by hydrogen bonds and a π-π interaction between the HТВА- ions. The topology of the polymer network of I is analyzed.