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Melikova SM, Rutkowski KS, Rospenk M. Noncovalent interactions between isoflurane and dimethyl ether. Spectroscopic evidence of trimer formation. Spectrochim Acta A Mol Biomol Spectrosc. 2019;223:117363doi: 10.1016/j.saa.2019.117363.
Melikova, S. M., Rutkowski, K. S., & Rospenk, M. (2019). Noncovalent interactions between isoflurane and dimethyl ether. Spectroscopic evidence of trimer formation. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 223117363. https://doi.org/10.1016/j.saa.2019.117363
Melikova, S M, et al. "Noncovalent interactions between isoflurane and dimethyl ether. Spectroscopic evidence of trimer formation." Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy vol. 223 (2019): 117363. doi: https://doi.org/10.1016/j.saa.2019.117363
Melikova SM, Rutkowski KS, Rospenk M. Noncovalent interactions between isoflurane and dimethyl ether. Spectroscopic evidence of trimer formation. Spectrochim Acta A Mol Biomol Spectrosc. 2019 Dec 05;223:117363. doi: 10.1016/j.saa.2019.117363. Epub 2019 Jul 09. PMID: 31319270.
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Spectrochim Acta A Mol Biomol Spectrosc. 2019 Dec 05;223:117363. doi: 10.1016/j.saa.2019.117363. Epub 2019 Jul 09.

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

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

S M Melikova, K S Rutkowski, M Rospenk

Affiliations

  1. Department of Physics, Saint Petersburg State University, 7/9 Universitetskaya Nab., 199034 Saint Petersburg, Russian Federation.
  2. Department of Physics, Saint Petersburg State University, 7/9 Universitetskaya Nab., 199034 Saint Petersburg, Russian Federation. Electronic address: [email protected].
  3. Faculty of Chemistry, University of Wroclaw, Joliot Curie 14, 50-383 Wroclaw, Poland.

PMID: 31319270 DOI: 10.1016/j.saa.2019.117363

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.

Copyright © 2019 Elsevier B.V. All rights reserved.

Keywords: Ab initio calculations; Dimethyl ether; FTIR cryospectroscopy; Isoflurane; Noncovalent interactions; Trimer

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