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Photochemical Chiral Symmetry Breaking in Alanine
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- We introduce a general theoretical approach for the simulation of photochemical dynamics under the influence of circularly polarized light to explore the possibility of generating enantiomeric enrichment through polarized-light-selective photochemistry. The method is applied to the simulation of the photolysis of alanine, a prototype chiral amino acid. We show that a systematic enantiomeric enrichment can be obtained depending on the helicity of the circularly polarized light that induces the excited-state photochemistry of alanine. ByWe introduce a general theoretical approach for the simulation of photochemical dynamics under the influence of circularly polarized light to explore the possibility of generating enantiomeric enrichment through polarized-light-selective photochemistry. The method is applied to the simulation of the photolysis of alanine, a prototype chiral amino acid. We show that a systematic enantiomeric enrichment can be obtained depending on the helicity of the circularly polarized light that induces the excited-state photochemistry of alanine. By analyzing the patterns of the photoinduced fragmentation of alanine we find an inducible enantiomeric enrichment up to 1.7%, which is also in good correspondence to the experimental findings. Our method is generally applicable to complex systems and might serve to systematically explore the photochemical origin of homochirality.…
Autor(en): | Matthias WohlgemuthORCiD, Roland MitricORCiD |
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URN: | urn:nbn:de:bvb:20-opus-158557 |
Dokumentart: | Artikel / Aufsatz in einer Zeitschrift |
Institute der Universität: | Fakultät für Chemie und Pharmazie / Institut für Physikalische und Theoretische Chemie |
Sprache der Veröffentlichung: | Englisch |
Titel des übergeordneten Werkes / der Zeitschrift (Englisch): | Journal of Physical Chemistry A |
Erscheinungsjahr: | 2016 |
Band / Jahrgang: | 45 |
Heft / Ausgabe: | 120 |
Seitenangabe: | 8976–8982 |
Originalveröffentlichung / Quelle: | Journal of Physical Chemistry A, 2016, 120 (45), pp 8976–8982 DOI: 10.1021/acs.jpca.6b07611 |
URL der Erstveröffentlichung: | https://pubs.acs.org/doi/10.1021/acs.jpca.6b07611 |
DOI: | https://doi.org/10.1021/acs.jpca.6b07611 |
Allgemeine fachliche Zuordnung (DDC-Klassifikation): | 5 Naturwissenschaften und Mathematik / 54 Chemie / 541 Physikalische Chemie |
Freie Schlagwort(e): | amino-acids; circularly-polarized light; dichroism; homochirality; molecular dynamics |
Fachklassifikation Physik (PACS): | 30.00.00 ATOMIC AND MOLECULAR PHYSICS |
Datum der Freischaltung: | 19.03.2018 |
EU-Projektnummer / Contract (GA) number: | 646737 |
OpenAIRE: | OpenAIRE |
Anmerkungen: | This document is the Accepted Manuscript version of a Published Work that appeared in final form in Journal of Physical Chemistry A, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see https://pubs.acs.org/doi/10.1021/acs.jpca.6b07611 |
Lizenz (Deutsch): | Deutsches Urheberrecht |