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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.show moreshow less
Metadaten
Author: Matthias WohlgemuthORCiD, Roland MitricORCiD
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
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
EU-Project number / Contract (GA) number:646737
OpenAIRE:OpenAIRE
Licence (German):License LogoDeutsches Urheberrecht