Russian Journal of Inorganic Chemistry

, Volume 62, Issue 6, pp 746–750 | Cite as

Polymeric lithium(I) diaquabarbiturate: Crystal structure

  • N. N. Golovnev
  • M. S. Molokeev
  • M. K. Lesnikov
  • S. N. Vereshchagin
Coordination Compounds


The lithium(I) catena-diaquabarbiturate complex [Li(H2O)2(HBA–O,O′)] n (I), where Н2ВА is barbituric acid, has been structurally characterized by X-ray diffraction (CIF file CCDC no. 1447689), and its thermal decomposition and IR spectrum have been studied. Crystals of complex I are monoclinic, a = 6.4306(7) Å, b = 16.720(1) Å, c = 7.1732(8) Å, β = 108.253(4)°, V = 732.5(1) Å3, space group P21/c, and Z = 4. One independent μ2-bridging HBA ligand is coordinated to two Li(I) ions via the two oxygen atoms of C4(6)=O carbonyl groups. Each Li+ ion is linked with two μ2-HBA ions and two terminal water molecules at tetrahedron vertices. μ2-HBA ions link tetrahedra into a chain. The structure is stabilized by multiple hydrogen bonds and π–π-interaction between HBA. The shift of ν(C=O) vibration bands in the IR spectrum of complex I in comparison with Н2ВА towards lower frequencies agrees with the coordination of HBA via oxygen atoms. The dehydration of complex I occurs in two stages in the regions of 100–150 and 150–240°C.


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Copyright information

© Pleiades Publishing, Ltd. 2017

Authors and Affiliations

  • N. N. Golovnev
    • 1
  • M. S. Molokeev
    • 2
    • 3
  • M. K. Lesnikov
    • 1
  • S. N. Vereshchagin
    • 4
  1. 1.Siberian Federal UniversityKrasnoyarskRussia
  2. 2.Kirenskii Institute of Physics, Siberian BranchRussian Academy of SciencesKrasnoyarskRussia
  3. 3.Far Eastern State Transport UniversityKhabarovskRussia
  4. 4.Institute of Chemistry and Chemical Technology, Siberian BranchRussian Academy of SciencesKrasnoyarskRussia

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