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Nikolaev Institute of Inorganic Chemistry

Siberian Branch of Russian Academy of Sciences

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13 сентября 2013 года →  Hot articles

Paper in Inorganic Chemistry

The article of NIIC researches Babailov S.P., Stabnikov P.A, Zapolotsky E.N., Kokovkin V.V. is published in Inorganic Chemistry (IF 4.601)

Babailov S.P., Stabnikov P.A, Zapolotsky E.N., Kokovkin V.V.«Lanthanides as NMR Probes of Fast Molecular Dynamics at High Magnetic Fields and Temperature Sensors: Conformational Interconversion of Erbium Ethylenediaminetetraacetate Complexes.»Inorganic Chemistry, 2013, 52, 9, P. 55564–5569.DOI: 10.1021/ic400525r

Lanthanides as NMR Probes of Fast Molecular Dynamics at High Magnetic Fields and Temperature Sensors

Lanthanides as NMR Probes of Fast Molecular Dynamics at High Magnetic Fields and Temperature Sensors

1H NMR measurements are reported for D2O solutions of paramagnetic [Er(H2O)(EDTA4−)] complex for temperature interval 273 – 319 K. The spectra obtained have been analyzed using band-shape analysis technique in the framework of dynamic NMR (DNMR) taking into account the temperature dependence of lanthanide-induced shifts (LIS). Intramolecular dynamics in the complex was assigned to interconversion of Δ-λE-δδδδ and Δ-δE-δδδδ conformers with estimated activation free energy, ΔG(298K) = 50±4 kJ/mole. The methodology of paramagnetic 4f-element probe applications on the example of Er3+ for the study of free-energy changes in chemical exchange processes, as well as the advantages of this method in comparison with DNMR studies of diamagnetic substances are discussed. In accordance with literature reviewed, the fulfilled experimental study is the first example of intramolecular dynamics determination for erbium complexes. Additional advantage of the investigation is in the approach proposed which extends the range of measuring NMR rate constants for paramagnetic 4f-elements complexes compared to diamagnetic ones. Coordination compounds investigated represent a new type of thermometric NMR sensors and lanthanide paramagnetic probes for in situ temperature control in solutions.

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