Noncovalent interactions between isoflurane and dimethyl ether. Spectroscopic evidence of trimer formation.

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3 Scopus citations

Abstract

The IR spectra of isoflurane + dimethyl ether mixtures dissolved in liquid Kr are registered at T ~118–160 K. The results obtained at a wide range of relative concentrations suggest the formation of complexes stabilized by non-covalent interactions of H-bond type. Large excess of DME and low temperature favor trimer formation stabilized by interactions between two DME moieties and both CH groups of isoflurane predominantly. Estimations based on ab initio calculation of spectroscopic and thermodynamic parameters confirm the experimental findings.
Original languageEnglish
Article number117363
JournalSPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
Volume223
Early online date1 Jul 2019
DOIs
StatePublished - 5 Dec 2019

Scopus subject areas

  • Analytical Chemistry
  • Atomic and Molecular Physics, and Optics
  • Instrumentation
  • Spectroscopy

Keywords

  • Ab initio calculations
  • Dimethyl ether
  • FTIR cryospectroscopy
  • Isoflurane
  • Noncovalent interactions
  • Trimer

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