Mechanism-based chemical understanding of chiral symmetry breaking in the Soai reaction. A combined probabilistic and deterministic description of chemical reactions

Éva Dóka, Gábor Lente

Research output: Contribution to journalArticle

32 Citations (Scopus)

Abstract

The experimentally observed distribution of enantiomers in the Soai reaction is interpreted in this Article on the basis of a chemical mechanism using a newly developed stochastic kinetic method, accelerated Monte Carlo simulation combined with deterministic continuation and symmetrization. The method is in principle suitable for handling large mechanisms with realistic particle numbers and could be useful for any case where the kinetics of a process shows inherent random fluctuations. The mechanism shows how a slow initial reaction combined with efficient and highly enantioselective autocatalysis can give rise to chiral symmetry breaking under completely nonchiral external conditions.

Original languageEnglish
Pages (from-to)17878-17881
Number of pages4
JournalJournal of the American Chemical Society
Volume133
Issue number44
DOIs
Publication statusPublished - Nov 9 2011

ASJC Scopus subject areas

  • Catalysis
  • Chemistry(all)
  • Biochemistry
  • Colloid and Surface Chemistry

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