Structure and paramagnetic properties of tris-pivaloyltrifluoracetonate thulium(III) complexes with 18-crown-6 by X-ray analysis and NMR

Sergey P. Babailov, Pavel A. Stabnikov, Ilya V. Korolkov, Natalie V. Pervukhina, Olga S. Koshcheeva, Igor P. Chuikov

    Research output: Contribution to journalArticle

    6 Citations (Scopus)

    Abstract

    Synthesis and the crystal structure of a novel complex Tm(III) tris-pivaloyltrifluoracetonate, [Tm2(ptf)6] (I) and Tm(III)-tris-pivaloyltrifluoracetonate-(isopropanol)aqua with 18-crown-6 {[Tm(ptf)3(HOCH(CH3)2)H2O] × (18-crown-6)} (II) are reported. A single crystal X-ray diffraction study revealed that complex I has molecular structure which consists of discrete dimeric [Tm2(ptf)6] molecules. Two thulium atoms are located at the 3.7993(2) Å distance. Complex II has molecular structure with hydrogen bonds between oxygen atoms of water molecule and 18-crown-6. Thermogravimetric data evidence the volatility of compound I. It was found by 1H NMR that complexes I, II, [Tm(H2O)(ptf)3] and [Tm(H2O)(ptf)3] × (18-crown-6) may be used (due to the substantial temperature dependence of the paramagnetic lanthanide-induced shifts {LIS}) as NMR thermometric sensors for controlling the local temperature in organic media. According to our information this is the first example of a detailed study of the essential temperature dependence of the LIS on 1/T for Tm complexes in organic media.

    Original languageEnglish
    Pages (from-to)178-185
    Number of pages8
    JournalPolyhedron
    Volume105
    DOIs
    Publication statusPublished - 17 Feb 2016

    Fingerprint

    Thulium
    thulium
    X ray analysis
    molecular structure
    Nuclear magnetic resonance
    Rare earth elements
    Lanthanoid Series Elements
    temperature dependence
    nuclear magnetic resonance
    Molecular structure
    volatility
    shift
    molecules
    oxygen atoms
    Atoms
    Molecules
    x rays
    hydrogen bonds
    Temperature
    crystal structure

    Keywords

    • 18-Crown-6
    • Paramagnetic NMR
    • The molecular structure in the crystal state and solution
    • Volatility
    • β-Diketonates of Tm(III)

    ASJC Scopus subject areas

    • Inorganic Chemistry
    • Materials Chemistry
    • Physical and Theoretical Chemistry

    Cite this

    Babailov, S. P., Stabnikov, P. A., Korolkov, I. V., Pervukhina, N. V., Koshcheeva, O. S., & Chuikov, I. P. (2016). Structure and paramagnetic properties of tris-pivaloyltrifluoracetonate thulium(III) complexes with 18-crown-6 by X-ray analysis and NMR. Polyhedron, 105, 178-185. https://doi.org/10.1016/j.poly.2015.12.014

    Structure and paramagnetic properties of tris-pivaloyltrifluoracetonate thulium(III) complexes with 18-crown-6 by X-ray analysis and NMR. / Babailov, Sergey P.; Stabnikov, Pavel A.; Korolkov, Ilya V.; Pervukhina, Natalie V.; Koshcheeva, Olga S.; Chuikov, Igor P.

    In: Polyhedron, Vol. 105, 17.02.2016, p. 178-185.

    Research output: Contribution to journalArticle

    Babailov, Sergey P. ; Stabnikov, Pavel A. ; Korolkov, Ilya V. ; Pervukhina, Natalie V. ; Koshcheeva, Olga S. ; Chuikov, Igor P. / Structure and paramagnetic properties of tris-pivaloyltrifluoracetonate thulium(III) complexes with 18-crown-6 by X-ray analysis and NMR. In: Polyhedron. 2016 ; Vol. 105. pp. 178-185.
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    abstract = "Synthesis and the crystal structure of a novel complex Tm(III) tris-pivaloyltrifluoracetonate, [Tm2(ptf)6] (I) and Tm(III)-tris-pivaloyltrifluoracetonate-(isopropanol)aqua with 18-crown-6 {[Tm(ptf)3(HOCH(CH3)2)H2O] × (18-crown-6)} (II) are reported. A single crystal X-ray diffraction study revealed that complex I has molecular structure which consists of discrete dimeric [Tm2(ptf)6] molecules. Two thulium atoms are located at the 3.7993(2) {\AA} distance. Complex II has molecular structure with hydrogen bonds between oxygen atoms of water molecule and 18-crown-6. Thermogravimetric data evidence the volatility of compound I. It was found by 1H NMR that complexes I, II, [Tm(H2O)(ptf)3] and [Tm(H2O)(ptf)3] × (18-crown-6) may be used (due to the substantial temperature dependence of the paramagnetic lanthanide-induced shifts {LIS}) as NMR thermometric sensors for controlling the local temperature in organic media. According to our information this is the first example of a detailed study of the essential temperature dependence of the LIS on 1/T for Tm complexes in organic media.",
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    AU - Babailov, Sergey P.

    AU - Stabnikov, Pavel A.

    AU - Korolkov, Ilya V.

    AU - Pervukhina, Natalie V.

    AU - Koshcheeva, Olga S.

    AU - Chuikov, Igor P.

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