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

V. G. Zobnina, M. V. Kosevich, V. V. Chagovets, O. A. Boryak, A. N. Kulik, A. Gomory

Research output: Contribution to journalArticle

3 Citations (Scopus)

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 CH 2- 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.

Original languageEnglish
Pages (from-to)1341-1347
Number of pages7
JournalJournal of Analytical Chemistry
Volume66
Issue number13
DOIs
Publication statusPublished - Dec 2011

Keywords

  • associates
  • chlorine anion
  • electrospray ionization
  • mass spectrometry
  • molecular dynamics
  • polyethers

ASJC Scopus subject areas

  • Analytical Chemistry

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