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Enantiomerically enriched, polycrystalline molecular sieves.

Stephen K Brand1, Joel E Schmidt1,2, Michael W Deem3,4

  • 1Chemical Engineering, California Institute of Technology, Pasadena, CA 91125.

Proceedings of the National Academy of Sciences of the United States of America
|May 3, 2017
PubMed
Summary

Researchers synthesized chiral molecular sieves with specific enantiomeric enrichment using computational design and enantiopure structure-directing agents. These enantioenriched sieves demonstrate enantioselective adsorption and catalysis, advancing molecular sieve applications.

Keywords:
asymmetric catalysischiral adsorptionchiralityzeolite

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Area of Science:

  • Materials Science
  • Chemistry
  • Nanotechnology

Background:

  • Zeolites and molecular sieves are crucial in adsorption and catalysis.
  • Developing chiral molecular sieves with bulk enantioenrichment is a significant challenge.
  • Enantioselective functions in molecular sieves are highly desirable for advanced applications.

Purpose of the Study:

  • To synthesize enantiomerically enriched polycrystalline molecular sieve samples.
  • To demonstrate the utility of computational methods in designing chiral structure-directing agents.
  • To evaluate the enantioselective properties of the synthesized molecular sieves.

Main Methods:

  • Design of enantiopure organic structure-directing agents using computational methods.
  • Synthesis of polycrystalline molecular sieve samples using the designed agents.
  • Characterization of enantiomeric enrichment via high-resolution transmission electron microscopy.
  • Testing of enantioselective adsorption and heterogeneous catalysis.

Main Results:

  • Successfully synthesized enantiomerically enriched molecular sieve samples of either enantiomer.
  • Computational predictions accurately guided the synthesis of specific enantiomers.
  • Enantioenriched sieves exhibited enantioselectivity in epoxide ring-opening reactions.
  • Demonstrated enantioselective adsorption of 2-butanol, with opposite selectivities for R and S enantiomers.

Conclusions:

  • Enantiopure structure-directing agents enable the synthesis of bulk enantioenriched molecular sieves.
  • These chiral molecular sieves show promise for enantioselective adsorption and catalysis.
  • The study validates a computational-experimental approach for creating functional chiral materials.