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November 12, 2025The Journal of Physical Chemistry A

Catalytic Asymmetric Construction of Quaternary Stereocenters via Synergistic Au/SPA Catalysis: Mechanistic Insights from DFT Studies

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Authors

SQSimeng QiRFRan FangLYLi-Zi Yang

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Overview

Computational analysis reveals that electrostatic interactions influence transition states and enantiomeric excess in quaternary stereocenter construction.

Key Points

  • Enantiomeric excess is closely linked to electrostatic interactions and regioselectivity.
  • Regioselectivity arises in the transition state influenced by steric and electronic factors.
  • Density functional theory reveals two pathways for constructing quaternary stereocenters.
  • SPA catalysis plays a pivotal role in determining stereochemistry and selectivity.

Cite This Study

Qi et al. (2025) studied this question.

synapsesocial.com/papers/69252e83c0ce034ddc355ab1https://doi.org/10.1021/acs.jpca.5c06461
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