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Circular dichroism of relativistically–moving chiral molecules

Whittam, Mitchell 1; Zerulla, Benedikt ORCID iD icon 2; Krstić, Marjan 1; Vavilin, Maxim ORCID iD icon 1; Holzer, Christof 1; Nyman, Markus 2; Rebholz, Lukas ORCID iD icon 1; Fernandez-Corbaton, Ivan ORCID iD icon 2; Rockstuhl, Carsten 1,2
1 Institut für Theoretische Festkörperphysik (TFP), Karlsruher Institut für Technologie (KIT)
2 Institut für Nanotechnologie (INT), Karlsruher Institut für Technologie (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.


Verlagsausgabe §
DOI: 10.5445/IR/1000173003
Veröffentlicht am 13.08.2024
Cover der Publikation
Zugehörige Institution(en) am KIT Institut für Nanotechnologie (INT)
Institut für Theoretische Festkörperphysik (TFP)
Publikationstyp Zeitschriftenaufsatz
Publikationsjahr 2024
Sprache Englisch
Identifikator ISSN: 2045-2322
KITopen-ID: 1000173003
HGF-Programm 43.32.02 (POF IV, LK 01) Designed Optical Materials
Erschienen in Scientific Reports
Verlag Nature Research
Band 14
Heft 1
Seiten Art.-Nr.: 16812
Vorab online veröffentlicht am 22.07.2024
Schlagwörter Chiral molecules, Relativistic motion, Circular dichroism, Multi–scale modelling, Quantum chemistry
Nachgewiesen in Dimensions
Web of Science
Scopus
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