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Noncovalent interactions between isoflurane and dimethyl ether. Spectroscopic evidence of trimer formation. / Melikova, S.M.; Rutkowski, K.S.; Rospenk, Maria.

In: SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, Vol. 223, 117363, 05.12.2019.

Research output: Contribution to journal › Article › peer-review

Harvard

Melikova, SM, Rutkowski, KS & Rospenk, M 2019, 'Noncovalent interactions between isoflurane and dimethyl ether. Spectroscopic evidence of trimer formation.', SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, vol. 223, 117363. https://doi.org/10.1016/j.saa.2019.117363

APA

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, 223, [117363]. https://doi.org/10.1016/j.saa.2019.117363

Vancouver

Melikova SM, Rutkowski KS, Rospenk M. Noncovalent interactions between isoflurane and dimethyl ether. Spectroscopic evidence of trimer formation. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY. 2019 Dec 5;223. 117363. https://doi.org/10.1016/j.saa.2019.117363

Author

Melikova, S.M. ; Rutkowski, K.S. ; Rospenk, Maria. / Noncovalent interactions between isoflurane and dimethyl ether. Spectroscopic evidence of trimer formation. In: SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY. 2019 ; Vol. 223.

BibTeX

@article{e527b3ed6b144f84875344c171fa8607,
title = "Noncovalent interactions between isoflurane and dimethyl ether. Spectroscopic evidence of trimer formation.",
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.",
keywords = "Ab initio calculations, Dimethyl ether, FTIR cryospectroscopy, Isoflurane, Noncovalent interactions, Trimer, BLUE SHIFTS, CRYOSOLUTION, ENFLURANE, ABSOLUTE-CONFIGURATIONS, DESFLURANE, CONFORMATIONS, INFRARED-SPECTRA, UNUSUAL INTENSITY CHANGES, FTIR, INHALATION ANESTHETICS",
author = "S.M. Melikova and K.S. Rutkowski and Maria Rospenk",
note = "Publisher Copyright: {\textcopyright} 2019 Elsevier B.V.",
year = "2019",
month = dec,
day = "5",
doi = "http://dx.doi.org/10.1016/j.saa.2019.117363",
language = "English",
volume = "223",
journal = "SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY",
issn = "1386-1425",
publisher = "Elsevier",

}

RIS

TY - JOUR

T1 - Noncovalent interactions between isoflurane and dimethyl ether. Spectroscopic evidence of trimer formation.

AU - Melikova, S.M.

AU - Rutkowski, K.S.

AU - Rospenk, Maria

N1 - Publisher Copyright: © 2019 Elsevier B.V.

PY - 2019/12/5

Y1 - 2019/12/5

N2 - 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.

AB - 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.

KW - Ab initio calculations

KW - Dimethyl ether

KW - FTIR cryospectroscopy

KW - Isoflurane

KW - Noncovalent interactions

KW - Trimer

KW - BLUE SHIFTS

KW - CRYOSOLUTION

KW - ENFLURANE

KW - ABSOLUTE-CONFIGURATIONS

KW - DESFLURANE

KW - CONFORMATIONS

KW - INFRARED-SPECTRA

KW - UNUSUAL INTENSITY CHANGES

KW - FTIR

KW - INHALATION ANESTHETICS

UR - http://www.scopus.com/inward/record.url?scp=85068870244&partnerID=8YFLogxK

UR - https://www.sciencedirect.com/science/article/pii/S138614251930753X

UR - http://www.mendeley.com/research/noncovalent-interactions-between-isoflurane-dimethyl-ether-spectroscopic-evidence-trimer-formation

U2 - http://dx.doi.org/10.1016/j.saa.2019.117363

DO - http://dx.doi.org/10.1016/j.saa.2019.117363

M3 - Article

VL - 223

JO - SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

JF - SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

SN - 1386-1425

M1 - 117363

ER -

ID: 45796501