title: Photochemical Chiral Symmetry Breaking in Alanine.
abstract: 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. 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.
authors: Institute for Physical and Theoretical Chemistry, Julius Maximilians University Würzburg , Emil-Fischer-Str. 42, 97074 Würzburg, Germany.
authors: Matthias
authors: M
authors: Wohlgemuth
authors: Institute for Physical and Theoretical Chemistry, Julius Maximilians University Würzburg , Emil-Fischer-Str. 42, 97074 Würzburg, Germany.
authors: Roland
authors: R
authors: Mitrić