Circular dichroism of relativistically–moving chiral molecules
Abstract Understanding the impact of the relativistic motion of a chiral molecule on its optical response is a prime challenge for fundamental science, but it also has a direct practical relevance in our search for extraterrestrial life. To contribute to these significant developments, we describe a...
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| Format: | Article |
| Language: | English |
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Nature Portfolio
2024-07-01
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| Series: | Scientific Reports |
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| Online Access: | https://doi.org/10.1038/s41598-024-66443-w |
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| author | Mitchell R. Whittam Benedikt Zerulla Marjan Krstić Maxim Vavilin Christof Holzer Markus Nyman Lukas Rebholz Ivan Fernandez-Corbaton Carsten Rockstuhl |
| author_facet | Mitchell R. Whittam Benedikt Zerulla Marjan Krstić Maxim Vavilin Christof Holzer Markus Nyman Lukas Rebholz Ivan Fernandez-Corbaton Carsten Rockstuhl |
| author_sort | Mitchell R. Whittam |
| collection | DOAJ |
| description | Abstract Understanding the impact of the relativistic motion of a chiral molecule on its optical response is a prime challenge for fundamental science, but it also has a direct practical relevance in our search for extraterrestrial life. To contribute to these significant developments, we describe a multi–scale computational framework that combines quantum chemistry calculations and full–wave optical simulations to predict the chiral optical response from molecules moving at relativistic speeds. Specifically, the effect of a relativistic motion on the transmission circular dichroism (TCD) of three life–essential biomolecules, namely, B–DNA, chlorophyll a, and chlorophyll b, is investigated. Inspired by previous experiments to detect interstellar chiral molecules, we assume that the molecules move between a stationary observer and a light source, and we study the rotationally averaged TCD as a function of the speed of the molecule.We find that the TCD spectrum that contains the signatures of the molecules shifts with increasing speed to shorter wavelengths, with the effects already being visible for moderate velocities. |
| format | Article |
| id | doaj-art-f18b06dc083040dea16a956df8f752ba |
| institution | Kabale University |
| issn | 2045-2322 |
| language | English |
| publishDate | 2024-07-01 |
| publisher | Nature Portfolio |
| record_format | Article |
| series | Scientific Reports |
| spelling | doaj-art-f18b06dc083040dea16a956df8f752ba2025-01-26T12:34:50ZengNature PortfolioScientific Reports2045-23222024-07-0114111210.1038/s41598-024-66443-wCircular dichroism of relativistically–moving chiral moleculesMitchell R. Whittam0Benedikt Zerulla1Marjan Krstić2Maxim Vavilin3Christof Holzer4Markus Nyman5Lukas Rebholz6Ivan Fernandez-Corbaton7Carsten Rockstuhl8Institute of Theoretical Solid State Physics, Karlsruhe Institute of Technology (KIT)Institute of Nanotechnology, Karlsruhe Institute of Technology (KIT)Institute of Theoretical Solid State Physics, Karlsruhe Institute of Technology (KIT)Institute of Theoretical Solid State Physics, Karlsruhe Institute of Technology (KIT)Institute of Theoretical Solid State Physics, Karlsruhe Institute of Technology (KIT)Institute of Nanotechnology, Karlsruhe Institute of Technology (KIT)Institute of Theoretical Solid State Physics, Karlsruhe Institute of Technology (KIT)Institute of Nanotechnology, Karlsruhe Institute of Technology (KIT)Institute of Theoretical Solid State Physics, Karlsruhe Institute of Technology (KIT)Abstract Understanding the impact of the relativistic motion of a chiral molecule on its optical response is a prime challenge for fundamental science, but it also has a direct practical relevance in our search for extraterrestrial life. To contribute to these significant developments, we describe a multi–scale computational framework that combines quantum chemistry calculations and full–wave optical simulations to predict the chiral optical response from molecules moving at relativistic speeds. Specifically, the effect of a relativistic motion on the transmission circular dichroism (TCD) of three life–essential biomolecules, namely, B–DNA, chlorophyll a, and chlorophyll b, is investigated. Inspired by previous experiments to detect interstellar chiral molecules, we assume that the molecules move between a stationary observer and a light source, and we study the rotationally averaged TCD as a function of the speed of the molecule.We find that the TCD spectrum that contains the signatures of the molecules shifts with increasing speed to shorter wavelengths, with the effects already being visible for moderate velocities.https://doi.org/10.1038/s41598-024-66443-wChiral moleculesRelativistic motionCircular dichroismMulti–scale modellingQuantum chemistry |
| spellingShingle | Mitchell R. Whittam Benedikt Zerulla Marjan Krstić Maxim Vavilin Christof Holzer Markus Nyman Lukas Rebholz Ivan Fernandez-Corbaton Carsten Rockstuhl Circular dichroism of relativistically–moving chiral molecules Scientific Reports Chiral molecules Relativistic motion Circular dichroism Multi–scale modelling Quantum chemistry |
| title | Circular dichroism of relativistically–moving chiral molecules |
| title_full | Circular dichroism of relativistically–moving chiral molecules |
| title_fullStr | Circular dichroism of relativistically–moving chiral molecules |
| title_full_unstemmed | Circular dichroism of relativistically–moving chiral molecules |
| title_short | Circular dichroism of relativistically–moving chiral molecules |
| title_sort | circular dichroism of relativistically moving chiral molecules |
| topic | Chiral molecules Relativistic motion Circular dichroism Multi–scale modelling Quantum chemistry |
| url | https://doi.org/10.1038/s41598-024-66443-w |
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