Unraveling the mechanism of the Soai asymmetric autocatalytic reaction by first-principles calculations: Induction and amplification of chirality by self-assembly of hexamolecular complexes

Angewandte Chemie - International Edition

Volumn 47, Issue 36, 2008, Pages 6832-6835

  Schiaffino, Luca ^a   Ercolani, Gianfranco ^a  

^a UNIVERSITY OF ROME TOR VERGATA   (Italy)

Author keywords

Asymmetric amplification; Asymmetric catalysis; Autocatalysis; Nonlinear effects; Zinc

Indexed keywords

CHEMICAL REACTIONS; CLARIFICATION; MECHANISMS; SELF ASSEMBLY; SOLID STATE PHYSICS; STEREOCHEMISTRY;

ASYMMETRIC AMPLIFICATION; ASYMMETRIC CATALYSIS; AUTOCATALYSIS; NONLINEAR EFFECTS; ZINC;

AMPLIFICATION;

EID: 53249103664     PISSN: 14337851     EISSN: None     Source Type: Journal    
DOI: 10.1002/anie.200802450     Document Type: Article

References (24)

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21. c) Computational details, optimized geometries, and energies are reported in Supporting Information.
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23. 2.
24. 2S could also rapidly dissociate to give the corresponding reactant molecules. Although this possibility seems unlikely, the overall rate of reaction would be in this case just half that of the case being considered.