Photochemical Chiral Symmetry Breaking in Alanine
Please always quote using this URN: urn:nbn:de:bvb:20-opus-158557
- 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.…
Author: | Matthias WohlgemuthORCiD, Roland MitricORCiD |
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URN: | urn:nbn:de:bvb:20-opus-158557 |
Document Type: | Journal article |
Faculties: | Fakultät für Chemie und Pharmazie / Institut für Physikalische und Theoretische Chemie |
Language: | English |
Parent Title (English): | Journal of Physical Chemistry A |
Year of Completion: | 2016 |
Volume: | 45 |
Issue: | 120 |
Pagenumber: | 8976–8982 |
Source: | Journal of Physical Chemistry A, 2016, 120 (45), pp 8976–8982 DOI: 10.1021/acs.jpca.6b07611 |
URL: | https://pubs.acs.org/doi/10.1021/acs.jpca.6b07611 |
DOI: | https://doi.org/10.1021/acs.jpca.6b07611 |
Dewey Decimal Classification: | 5 Naturwissenschaften und Mathematik / 54 Chemie / 541 Physikalische Chemie |
Tag: | amino-acids; circularly-polarized light; dichroism; homochirality; molecular dynamics |
PACS-Classification: | 30.00.00 ATOMIC AND MOLECULAR PHYSICS |
Release Date: | 2018/03/19 |
EU-Project number / Contract (GA) number: | 646737 |
OpenAIRE: | OpenAIRE |
Note: | 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 |
Licence (German): | Deutsches Urheberrecht |