Evidence of noncovalent interactions between sevoflurane and dimethyl ether. FTIR cryospectroscopic and ab initio studies.

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Evidence of noncovalent interactions between sevoflurane and dimethyl ether. FTIR cryospectroscopic and ab initio studies. / Меликова, Сона Меджидовна ; Рутковский, Константин Станиславович; Rospenk, Maria.

In: Journal of Molecular Structure, Vol. 1221, 128852, 05.12.2020, p. 1-8.

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

BibTeX

@article{3ff36c34692a428ea22ba78e4871700c,

title = "Evidence of noncovalent interactions between sevoflurane and dimethyl ether. FTIR cryospectroscopic and ab initio studies.",

abstract = "The IR spectra of sevoflurane + dimethyl ether mixtures dissolved in liquid Kr are studied at T ~118 – 155 K. The characteristic changes observed in numerous IR bands of both moieties suggest the formation of complexes stabilized by non covalent interactions of H-bond type. Estimations based on ab initio calculations including anharmonic effects are in line with the experimental findings.",

keywords = "FTIR cryospectroscopy; sevoflurane; dimethyl ether; dimer; noncovalent interactions; ab initio calculations, Dimethyl ether, FTIR cryospectroscopy, Heterodimer, Noncovalent interactions, Sevoflurane, ab initio calculations",

author = "Меликова, {Сона Меджидовна} and Рутковский, {Константин Станиславович} and Maria Rospenk",

note = "Publisher Copyright: {\textcopyright} 2020 Elsevier B.V.",

year = "2020",

month = dec,

day = "5",

doi = "10.1016/j.molstruc.2020.128852",

language = "English",

volume = "1221",

pages = "1--8",

journal = "Journal of Molecular Structure",

issn = "0022-2860",

publisher = "Elsevier",

}

RIS

TY - JOUR

T1 - Evidence of noncovalent interactions between sevoflurane and dimethyl ether. FTIR cryospectroscopic and ab initio studies.

AU - Меликова, Сона Меджидовна

AU - Рутковский, Константин Станиславович

AU - Rospenk, Maria

PY - 2020/12/5

Y1 - 2020/12/5

N2 - The IR spectra of sevoflurane + dimethyl ether mixtures dissolved in liquid Kr are studied at T ~118 – 155 K. The characteristic changes observed in numerous IR bands of both moieties suggest the formation of complexes stabilized by non covalent interactions of H-bond type. Estimations based on ab initio calculations including anharmonic effects are in line with the experimental findings.

AB - The IR spectra of sevoflurane + dimethyl ether mixtures dissolved in liquid Kr are studied at T ~118 – 155 K. The characteristic changes observed in numerous IR bands of both moieties suggest the formation of complexes stabilized by non covalent interactions of H-bond type. Estimations based on ab initio calculations including anharmonic effects are in line with the experimental findings.

KW - FTIR cryospectroscopy; sevoflurane; dimethyl ether; dimer; noncovalent interactions; ab initio calculations

KW - Dimethyl ether

KW - FTIR cryospectroscopy

KW - Heterodimer

KW - Noncovalent interactions

KW - Sevoflurane

KW - ab initio calculations

UR - http://www.scopus.com/inward/record.url?scp=85087910902&partnerID=8YFLogxK

UR - https://www.mendeley.com/catalogue/bcfa322f-d2eb-32ae-85ac-9d1affb4bf35/

U2 - 10.1016/j.molstruc.2020.128852

DO - 10.1016/j.molstruc.2020.128852

M3 - Article

VL - 1221

SP - 1

EP - 8

JO - Journal of Molecular Structure

JF - Journal of Molecular Structure

SN - 0022-2860

M1 - 128852

ER -

ID: 60961804