CONFORMATIONAL ANALYSIS OF SMALL ETHANOL CLUSTERS TRAPPED IN A LOW-TEMPERATURE ARGON MATRIX.
Saved in:
| Title: | CONFORMATIONAL ANALYSIS OF SMALL ETHANOL CLUSTERS TRAPPED IN A LOW-TEMPERATURE ARGON MATRIX. |
|---|---|
| Alternate Title: | MAŽŲ ETANOLIO KLASTERIŲ ŽEMOS TEMPERATŪROS ARGONO MATRICOJE KONFORMACINĖ ANALIZĖ. |
| Authors: | Doroshenko, I.1,2 dori11@knu.ua, Nekboev, A.3, Kuyliev, B.3 |
| Source: | Lithuanian Journal of Physics. 2026, Vol. 66 Issue 1, p1-7. 7p. |
| Subjects: | Conformational analysis, Molecular clusters, Matrix isolation, Hydrogen bonding, Matrix isolation spectroscopy, Ab-initio calculations, Fourier transform infrared spectroscopy |
| Abstract: | This work presents a conformational analysis of ethanol molecules and their clusters isolated in a low-temperature argon matrix using FTIR spectroscopy and quantum-chemical calculations. Optimal geometry, energy parameters and vibrational frequencies for trans and gauche conformations of ethanol, as well as for various possible combinations of conformers in dimers, trimers and tetramers, were calculated. Temperature-dependent FTIR spectra reveal distinct bands corresponding to the O–H stretching vibrations of both conformers. As the matrix temperature increases from 20 to 50 K, ethanol monomers progressively form hydrogen-bonded clusters. Quantum-chemical modelling confirms the presence of all theoretically predicted cluster configurations in the matrix at temperatures about 40 K. [ABSTRACT FROM AUTHOR] |
| Copyright of Lithuanian Journal of Physics is the property of Lithuanian Academy of Sciences and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.) | |
| Database: | Engineering Source |
| FullText | Links: – Type: pdflink Text: Availability: 0 |
|---|---|
| Header | DbId: egs DbLabel: Engineering Source An: 193696618 AccessLevel: 6 PubType: Academic Journal PubTypeId: academicJournal PreciseRelevancyScore: 0 |
| IllustrationInfo | |
| Items | – Name: Title Label: Title Group: Ti Data: CONFORMATIONAL ANALYSIS OF SMALL ETHANOL CLUSTERS TRAPPED IN A LOW-TEMPERATURE ARGON MATRIX. – Name: TitleAlt Label: Alternate Title Group: TiAlt Data: MAŽŲ ETANOLIO KLASTERIŲ ŽEMOS TEMPERATŪROS ARGONO MATRICOJE KONFORMACINĖ ANALIZĖ. – Name: Author Label: Authors Group: Au Data: <searchLink fieldCode="AR" term="%22Doroshenko%2C+I%2E%22">Doroshenko, I.</searchLink><relatesTo>1,2</relatesTo><i> dori11@knu.ua</i><br /><searchLink fieldCode="AR" term="%22Nekboev%2C+A%2E%22">Nekboev, A.</searchLink><relatesTo>3</relatesTo><br /><searchLink fieldCode="AR" term="%22Kuyliev%2C+B%2E%22">Kuyliev, B.</searchLink><relatesTo>3</relatesTo> – Name: TitleSource Label: Source Group: Src Data: <searchLink fieldCode="JN" term="%22Lithuanian+Journal+of+Physics%22">Lithuanian Journal of Physics</searchLink>. 2026, Vol. 66 Issue 1, p1-7. 7p. – Name: Subject Label: Subjects Group: Su Data: <searchLink fieldCode="DE" term="%22Conformational+analysis%22">Conformational analysis</searchLink><br /><searchLink fieldCode="DE" term="%22Molecular+clusters%22">Molecular clusters</searchLink><br /><searchLink fieldCode="DE" term="%22Matrix+isolation%22">Matrix isolation</searchLink><br /><searchLink fieldCode="DE" term="%22Hydrogen+bonding%22">Hydrogen bonding</searchLink><br /><searchLink fieldCode="DE" term="%22Matrix+isolation+spectroscopy%22">Matrix isolation spectroscopy</searchLink><br /><searchLink fieldCode="DE" term="%22Ab-initio+calculations%22">Ab-initio calculations</searchLink><br /><searchLink fieldCode="DE" term="%22Fourier+transform+infrared+spectroscopy%22">Fourier transform infrared spectroscopy</searchLink> – Name: Abstract Label: Abstract Group: Ab Data: This work presents a conformational analysis of ethanol molecules and their clusters isolated in a low-temperature argon matrix using FTIR spectroscopy and quantum-chemical calculations. Optimal geometry, energy parameters and vibrational frequencies for trans and gauche conformations of ethanol, as well as for various possible combinations of conformers in dimers, trimers and tetramers, were calculated. Temperature-dependent FTIR spectra reveal distinct bands corresponding to the O–H stretching vibrations of both conformers. As the matrix temperature increases from 20 to 50 K, ethanol monomers progressively form hydrogen-bonded clusters. Quantum-chemical modelling confirms the presence of all theoretically predicted cluster configurations in the matrix at temperatures about 40 K. [ABSTRACT FROM AUTHOR] – Name: AbstractSuppliedCopyright Label: Group: Ab Data: <i>Copyright of Lithuanian Journal of Physics is the property of Lithuanian Academy of Sciences and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.) |
| PLink | https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=egs&AN=193696618 |
| RecordInfo | BibRecord: BibEntity: Identifiers: – Type: doi Value: 10.3952/physics.2026.66.1.1 Languages: – Code: eng Text: English PhysicalDescription: Pagination: PageCount: 7 StartPage: 1 Subjects: – SubjectFull: Conformational analysis Type: general – SubjectFull: Molecular clusters Type: general – SubjectFull: Matrix isolation Type: general – SubjectFull: Hydrogen bonding Type: general – SubjectFull: Matrix isolation spectroscopy Type: general – SubjectFull: Ab-initio calculations Type: general – SubjectFull: Fourier transform infrared spectroscopy Type: general Titles: – TitleFull: CONFORMATIONAL ANALYSIS OF SMALL ETHANOL CLUSTERS TRAPPED IN A LOW-TEMPERATURE ARGON MATRIX. Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Doroshenko, I. – PersonEntity: Name: NameFull: Nekboev, A. – PersonEntity: Name: NameFull: Kuyliev, B. IsPartOfRelationships: – BibEntity: Dates: – D: 01 M: 01 Text: 2026 Type: published Y: 2026 Identifiers: – Type: issn-print Value: 16488504 Numbering: – Type: volume Value: 66 – Type: issue Value: 1 Titles: – TitleFull: Lithuanian Journal of Physics Type: main |
| ResultId | 1 |
