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Russian Journal of Physical Chemistry A

, Volume 91, Issue 13, pp 2585–2592 | Cite as

Formation of Water Complexes with Organic Compounds in Solid Matter. IR Manifestation and DFT Study

  • I. I. Grinvald
  • I. Yu. Kalagaev
  • A. N. Petuchov
  • I. V. Vorotyntsev
  • V. M. Vorotyntsev
  • I. A. Spirin
  • A. I. Grushevskaya
  • R. V. Kapustin
Structure of Matter and Quantum Chemistry
  • 16 Downloads

Abstract

In terms of FTIR study it was estimated that water forms the complexes with furan, thiophene, dichloromethane, tribromomethane in low temperature films at 90–150 K interval and with benzene in KBr matrix at ambient temperature. The mechanism of intermolecular interaction was simulated by ab initio calculation using DFT method. It was shown that complex formation occurs due to arising of hydrogen bond between hydronium ion of water cluster or single water molecule with organic components.

Keywords

FTIR spectroscopy low temperatures hydration solid matrix furan thiophene benzene water hydrogen bond 

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Copyright information

© Pleiades Publishing, Ltd. 2017

Authors and Affiliations

  • I. I. Grinvald
    • 1
  • I. Yu. Kalagaev
    • 1
  • A. N. Petuchov
    • 1
  • I. V. Vorotyntsev
    • 1
  • V. M. Vorotyntsev
    • 1
  • I. A. Spirin
    • 1
  • A. I. Grushevskaya
    • 1
  • R. V. Kapustin
    • 1
  1. 1.Alekseev Institute of Physical Chemistry and Material Science of Nizhny Novgorod State Technical UniversityNizhny NovgorodRussia

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