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Unraveling the Mechanism of the Soai Asymmetric Autocatalytic Reaction by First-Principles Calculations: Induction and Amplification of Chirality by Self-Assembly of Hexamolecular Complexes
Article first published online: 24 JUL 2008
DOI: 10.1002/anie.200802450
Copyright © 2008 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
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How to Cite
Schiaffino, L. and Ercolani, G. (2008), Unraveling the Mechanism of the Soai Asymmetric Autocatalytic Reaction by First-Principles Calculations: Induction and Amplification of Chirality by Self-Assembly of Hexamolecular Complexes. Angew. Chem. Int. Ed., 47: 6832–6835. doi: 10.1002/anie.200802450
Publication History
- Issue published online: 20 AUG 2008
- Article first published online: 24 JUL 2008
- Manuscript Received: 26 MAY 2008
Keywords:
- asymmetric amplification;
- asymmetric catalysis;
- autocatalysis;
- nonlinear effects;
- zinc
Soai, so good: The Soai reaction is the sole reported case of amplifying asymmetric autocatalysis. A mechanism is proposed for this reaction, supported by first-principle calculations, clarifying not only the reasons for the detected chiral induction and amplification, but also the roles performed by isopropyl groups, γ-pyridinic nitrogen atoms, and the δ-substituent.