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Polymeric lithium(I) diaquabarbiturate: Crystal structure

The lithium( I ) catena -diaquabarbiturate complex [Li(H 2 O) 2 (HBA–O,O′)] n ( I ), where Н 2 ВА 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 monoc...

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Bibliographic Details
Published in:Russian journal of inorganic chemistry 2017-06, Vol.62 (6), p.746-750
Main Authors: Golovnev, N. N., Molokeev, M. S., Lesnikov, M. K., Vereshchagin, S. N.
Format: Article
Language:English
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Summary:The lithium( I ) catena -diaquabarbiturate complex [Li(H 2 O) 2 (HBA–O,O′)] n ( I ), where Н 2 ВА 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) Å 3 , space group P 2 1 / c , and Z = 4. One independent μ 2 -bridging HBA – ligand is coordinated to two Li(I) ions via the two oxygen atoms of C 4(6) =O carbonyl groups. Each Li + ion is linked with two μ 2 -HBA – ions and two terminal water molecules at tetrahedron vertices. μ 2 -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 Н 2 ВА 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.
ISSN:0036-0236
1531-8613
DOI:10.1134/S0036023617060092