Enhancing optical absorbance and accelerating rotational speed in molecular motors through oriented external electric fields.
| Title: | Enhancing optical absorbance and accelerating rotational speed in molecular motors through oriented external electric fields. |
|---|---|
| Authors: | Wu, Liang-Ting1 (AUTHOR), Nachimuthu, Santhanamoorthi1 (AUTHOR), Kaleta, Jiří2 (AUTHOR), Jiang, Jyh-Chiang1 (AUTHOR) jcjiang@mail.ntust.edu.tw |
| Source: | Journal of Chemical Physics. 12/7/2024, Vol. 161 Issue 21, p1-12. 12p. |
| Subject Terms: | *MOLECULAR magnetic moments, *ELECTRONIC excitation, *ELECTRIC fields, *DENSITY functional theory, *LIGHT absorption, *MOLECULAR motor proteins |
| Abstract: | Accelerating the rotational speed of light-driven molecular motors is among the foremost concerns in molecular machine research, as this speed directly influences the performance of a motor. Controlling the motor's rotation is crucial for practical applications, and using an oriented external electric field (OEEF) represents a feasible method to achieve this objective. We have investigated the impact of an OEEF on the optical and kinetic properties of a novel π-donor/acceptor di-substituted molecular motor, R2,3-(NH2, CHO). We employed density functional theory (DFT) and time-dependent DFT methods to analyze the electronic excitation and thermal isomerization behavior. Our results demonstrate that the absorption wavelength, absorption efficiency of the motor, and rate constant of the thermal isomerization reaction can be adjusted by applying OEEFs, which are predictable based on the dipole moment and polarizability of the molecules under consideration. In particular, we observed a shift in the absorption wavelength toward longer ranges, an enhancement in light absorption intensity, and an acceleration in the rotation rate when applying a weak positive directional external electric field to the R2,3-(NH2, CHO) motor. In summary, this theoretical study highlights the potential of OEEFs for improving the performance of molecular motors. [ABSTRACT FROM AUTHOR] |
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| Items | – Name: Title Label: Title Group: Ti Data: Enhancing optical absorbance and accelerating rotational speed in molecular motors through oriented external electric fields. – Name: Author Label: Authors Group: Au Data: <searchLink fieldCode="AR" term="%22Wu%2C+Liang-Ting%22">Wu, Liang-Ting</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Nachimuthu%2C+Santhanamoorthi%22">Nachimuthu, Santhanamoorthi</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Kaleta%2C+Jiří%22">Kaleta, Jiří</searchLink><relatesTo>2</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Jiang%2C+Jyh-Chiang%22">Jiang, Jyh-Chiang</searchLink><relatesTo>1</relatesTo> (AUTHOR)<i> jcjiang@mail.ntust.edu.tw</i> – Name: TitleSource Label: Source Group: Src Data: <searchLink fieldCode="JN" term="%22Journal+of+Chemical+Physics%22">Journal of Chemical Physics</searchLink>. 12/7/2024, Vol. 161 Issue 21, p1-12. 12p. – Name: Subject Label: Subject Terms Group: Su Data: *<searchLink fieldCode="DE" term="%22MOLECULAR+magnetic+moments%22">MOLECULAR magnetic moments</searchLink><br />*<searchLink fieldCode="DE" term="%22ELECTRONIC+excitation%22">ELECTRONIC excitation</searchLink><br />*<searchLink fieldCode="DE" term="%22ELECTRIC+fields%22">ELECTRIC fields</searchLink><br />*<searchLink fieldCode="DE" term="%22DENSITY+functional+theory%22">DENSITY functional theory</searchLink><br />*<searchLink fieldCode="DE" term="%22LIGHT+absorption%22">LIGHT absorption</searchLink><br />*<searchLink fieldCode="DE" term="%22MOLECULAR+motor+proteins%22">MOLECULAR motor proteins</searchLink> – Name: Abstract Label: Abstract Group: Ab Data: Accelerating the rotational speed of light-driven molecular motors is among the foremost concerns in molecular machine research, as this speed directly influences the performance of a motor. Controlling the motor's rotation is crucial for practical applications, and using an oriented external electric field (OEEF) represents a feasible method to achieve this objective. We have investigated the impact of an OEEF on the optical and kinetic properties of a novel π-donor/acceptor di-substituted molecular motor, R2,3-(NH2, CHO). We employed density functional theory (DFT) and time-dependent DFT methods to analyze the electronic excitation and thermal isomerization behavior. Our results demonstrate that the absorption wavelength, absorption efficiency of the motor, and rate constant of the thermal isomerization reaction can be adjusted by applying OEEFs, which are predictable based on the dipole moment and polarizability of the molecules under consideration. In particular, we observed a shift in the absorption wavelength toward longer ranges, an enhancement in light absorption intensity, and an acceleration in the rotation rate when applying a weak positive directional external electric field to the R2,3-(NH2, CHO) motor. In summary, this theoretical study highlights the potential of OEEFs for improving the performance of molecular motors. [ABSTRACT FROM AUTHOR] – Name: AbstractSuppliedCopyright Label: Group: Ab Data: <i>Copyright of Journal of Chemical Physics is the property of American Institute of Physics 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: 10.1063/5.0236934 Languages: – Code: eng Text: English PhysicalDescription: Pagination: PageCount: 12 StartPage: 1 Subjects: – SubjectFull: MOLECULAR magnetic moments Type: general – SubjectFull: ELECTRONIC excitation Type: general – SubjectFull: ELECTRIC fields Type: general – SubjectFull: DENSITY functional theory Type: general – SubjectFull: LIGHT absorption Type: general – SubjectFull: MOLECULAR motor proteins Type: general Titles: – TitleFull: Enhancing optical absorbance and accelerating rotational speed in molecular motors through oriented external electric fields. Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Wu, Liang-Ting – PersonEntity: Name: NameFull: Nachimuthu, Santhanamoorthi – PersonEntity: Name: NameFull: Kaleta, Jiří – PersonEntity: Name: NameFull: Jiang, Jyh-Chiang IsPartOfRelationships: – BibEntity: Dates: – D: 07 M: 12 Text: 12/7/2024 Type: published Y: 2024 Identifiers: – Type: issn-print Value: 00219606 Numbering: – Type: volume Value: 161 – Type: issue Value: 21 Titles: – TitleFull: Journal of Chemical Physics Type: main |
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