The influence of molecular shape on reorientation dynamics of sizable glass-forming isomers at ambient and elevated pressure.
| Title: | The influence of molecular shape on reorientation dynamics of sizable glass-forming isomers at ambient and elevated pressure. |
|---|---|
| Authors: | Błażytko, Alfred1 (AUTHOR), Rams-Baron, Marzena1 (AUTHOR) marzena.rams-baron@us.edu.pl, Paluch, Marian1 (AUTHOR) |
| Source: | Scientific Reports. 1/9/2024, Vol. 14 Issue 1, p1-16. 16p. |
| Subject Terms: | *MOLECULAR shapes, *MOLECULAR spectroscopy, *GLASS transition temperature, *DIPOLE moments, *MOLECULAR dynamics, *ISOMERS |
| Abstract: | We used dielectric spectroscopy to access the molecular dynamics of three isomers with a structure based on a sizable, partially rigid, and non-polar core connected to a polar phenylene unit differing in the position of the polar group, and, consequently, the direction and magnitude of the dipole moment to address the question how unique molecular properties, in particular large size and elongated shape, affect the dynamics. The position of the polar group differentiates the molecular shape and isomer's anisotropy and leads to different thermal and dynamic properties of the isomers. The shape of permittivity loss spectra was governed by magnitudes of the longitudinal and transverse components of dipole moment to a large extent. For para isomer with negligible traverse component of dipole moment, the narrowest loss peak was found while for meta isomer, the bimodal loss peak was observed at high temperatures. Its shape evolved on cooling limiting the possibility of individual mode separation near glass transition where the dynamics were more cooperative. High-pressure dielectric studies showed that sizable isomers were characterized by the pronounced sensitivity of glass transition temperature, Tg, to compression. Observed high activation volumes, such as 735 cm3/mol at Tg for para isomer, were found to correlate with the length scale of dynamic cooperativity. The number of dynamically correlated molecules depended on molecular shape and varied among isomers while the determined values were much smaller than that reported for other glass-forming liquids. We discussed here the obtained results in the context of the specific properties of the systems studied showing the overriding role of anisotropy. [ABSTRACT FROM AUTHOR] |
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| Items | – Name: Title Label: Title Group: Ti Data: The influence of molecular shape on reorientation dynamics of sizable glass-forming isomers at ambient and elevated pressure. – Name: Author Label: Authors Group: Au Data: <searchLink fieldCode="AR" term="%22Błażytko%2C+Alfred%22">Błażytko, Alfred</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Rams-Baron%2C+Marzena%22">Rams-Baron, Marzena</searchLink><relatesTo>1</relatesTo> (AUTHOR)<i> marzena.rams-baron@us.edu.pl</i><br /><searchLink fieldCode="AR" term="%22Paluch%2C+Marian%22">Paluch, Marian</searchLink><relatesTo>1</relatesTo> (AUTHOR) – Name: TitleSource Label: Source Group: Src Data: <searchLink fieldCode="JN" term="%22Scientific+Reports%22">Scientific Reports</searchLink>. 1/9/2024, Vol. 14 Issue 1, p1-16. 16p. – Name: Subject Label: Subject Terms Group: Su Data: *<searchLink fieldCode="DE" term="%22MOLECULAR+shapes%22">MOLECULAR shapes</searchLink><br />*<searchLink fieldCode="DE" term="%22MOLECULAR+spectroscopy%22">MOLECULAR spectroscopy</searchLink><br />*<searchLink fieldCode="DE" term="%22GLASS+transition+temperature%22">GLASS transition temperature</searchLink><br />*<searchLink fieldCode="DE" term="%22DIPOLE+moments%22">DIPOLE moments</searchLink><br />*<searchLink fieldCode="DE" term="%22MOLECULAR+dynamics%22">MOLECULAR dynamics</searchLink><br />*<searchLink fieldCode="DE" term="%22ISOMERS%22">ISOMERS</searchLink> – Name: Abstract Label: Abstract Group: Ab Data: We used dielectric spectroscopy to access the molecular dynamics of three isomers with a structure based on a sizable, partially rigid, and non-polar core connected to a polar phenylene unit differing in the position of the polar group, and, consequently, the direction and magnitude of the dipole moment to address the question how unique molecular properties, in particular large size and elongated shape, affect the dynamics. The position of the polar group differentiates the molecular shape and isomer's anisotropy and leads to different thermal and dynamic properties of the isomers. The shape of permittivity loss spectra was governed by magnitudes of the longitudinal and transverse components of dipole moment to a large extent. For para isomer with negligible traverse component of dipole moment, the narrowest loss peak was found while for meta isomer, the bimodal loss peak was observed at high temperatures. Its shape evolved on cooling limiting the possibility of individual mode separation near glass transition where the dynamics were more cooperative. High-pressure dielectric studies showed that sizable isomers were characterized by the pronounced sensitivity of glass transition temperature, Tg, to compression. Observed high activation volumes, such as 735 cm3/mol at Tg for para isomer, were found to correlate with the length scale of dynamic cooperativity. The number of dynamically correlated molecules depended on molecular shape and varied among isomers while the determined values were much smaller than that reported for other glass-forming liquids. We discussed here the obtained results in the context of the specific properties of the systems studied showing the overriding role of anisotropy. [ABSTRACT FROM AUTHOR] – Name: AbstractSuppliedCopyright Label: Group: Ab Data: <i>Copyright of Scientific Reports is the property of Springer Nature and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. 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.) |
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| RecordInfo | BibRecord: BibEntity: Identifiers: – Type: doi Value: 10.1038/s41598-023-50894-8 Languages: – Code: eng Text: English PhysicalDescription: Pagination: PageCount: 16 StartPage: 1 Subjects: – SubjectFull: MOLECULAR shapes Type: general – SubjectFull: MOLECULAR spectroscopy Type: general – SubjectFull: GLASS transition temperature Type: general – SubjectFull: DIPOLE moments Type: general – SubjectFull: MOLECULAR dynamics Type: general – SubjectFull: ISOMERS Type: general Titles: – TitleFull: The influence of molecular shape on reorientation dynamics of sizable glass-forming isomers at ambient and elevated pressure. Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Błażytko, Alfred – PersonEntity: Name: NameFull: Rams-Baron, Marzena – PersonEntity: Name: NameFull: Paluch, Marian IsPartOfRelationships: – BibEntity: Dates: – D: 09 M: 01 Text: 1/9/2024 Type: published Y: 2024 Identifiers: – Type: issn-print Value: 20452322 Numbering: – Type: volume Value: 14 – Type: issue Value: 1 Titles: – TitleFull: Scientific Reports Type: main |
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