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Stable associates of polyether oligomers with chlorine anion as revealed by the data of electrospray mass spectrometry and molecular dynamics

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Abstract

Stable complexes of oligomers of polyether (oxyethylated glycerol derivatives) with a chlorine anion have first been registered in negative-ion electrospray ionization mass spectra. The results of molecular dynamics simulation demonstrate that the stabilization of such complexes in the gas phase can be due to the formation of a quasicyclic structure of the polymer chain around the chlorine anion and its coordination by CH2- and OH- groups of the oligomer. This structure is inverted towards the known quasicyclic structure of polyethers, in which metal cations are coordinated by oxygen atoms of ether groups.

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Authors and Affiliations

  1. B.I. Verkin Institute for Low Temperature Physics and Engineering of the National Academy of Sciences of Ukraine, Lenina Ave. 47, Kharkov, 61103, Ukraine

    V. G. Zobnina, M. V. Kosevich, V. V. Chagovets & O. A. Boryak

  2. ALT Ukraine Ltd., ul. Lunacharskogo 4, Kiev, 02002, Ukraine

    A. N. Kulik

  3. Institute of Structural Chemistry, Chemical Research Center, Hungarian Academy of Sciences, Pusztaszeri str. 59/67, Budapest, II-1025, Hungary

    A. Gomory

Authors
  1. V. G. Zobnina
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  2. M. V. Kosevich
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  3. V. V. Chagovets
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  4. O. A. Boryak
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  5. A. N. Kulik
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  6. A. Gomory
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Additional information

Original Russian Text © V.G. Zobnina, M.V. Kosevich, V.V. Chagovets, O.A. Boryak, A.N. Kulik, A. Gomory, 2010, published in Mass-spektrometria, No. 7(3), pp. 225–231.

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Zobnina, V.G., Kosevich, M.V., Chagovets, V.V. et al. Stable associates of polyether oligomers with chlorine anion as revealed by the data of electrospray mass spectrometry and molecular dynamics. J Anal Chem 66, 1341–1347 (2011). https://doi.org/10.1134/S1061934811130107

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  • DOI: https://doi.org/10.1134/S1061934811130107

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