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

Golovnev, N. N.; Molokeev, M. S.; Sterkhova, I. V.; Vereshchagin, S. N.; Golovneva, I. I. JOURNAL OF STRUCTURAL CHEMISTRY, 58 (3):539-543; 10.1134/S0022476617030155 MAY 2017

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.