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Crystallography of encapsulated molecules.

Kari Rissanen1

  • 1University of Jyvaskyla, Department of Chemistry, Nanoscience Center, Survontie 9 B, Jyvaskyla, 40014, Finland. kari.t.rissanen@jyu.fi.

Chemical Society Reviews
|April 6, 2017
PubMed
Summary

This review discusses supramolecular host-guest crystallography. The Crystalline Sponge Method (CSM) enables accurate 3D structure determination of unknown guest molecules, even from minute quantities.

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Area of Science:

  • Crystallography
  • Supramolecular Chemistry
  • Materials Science

Background:

  • Supramolecular host-guest complexes involve hosts binding guests via weak interactions like hydrogen bonding and pi-stacking.
  • Crystallographic determination of guests can be challenging due to disorder and low occupancy.

Purpose of the Study:

  • To review and discuss the crystallography of supramolecular host-guest complexes.
  • To highlight advanced analytical tools and methods for studying these systems.

Main Methods:

  • Review of crystallographic techniques for host-guest complexes.
  • Analysis of host-guest interactions using Hirshfeld and cavity volume surface analysis.
  • Application of the Crystalline Sponge Method (CSM) for guest structure determination.

Main Results:

  • Weak supramolecular interactions govern host-guest binding.
  • Advanced analysis tools aid in understanding key interactions.
  • CSM provides accurate 3D structures of unknown guests from trace amounts.

Conclusions:

  • Host-guest crystallography is a demanding but rewarding field.
  • CSM is a powerful technique for elucidating guest structures and absolute configurations.
  • This field holds promise for determining structures of previously inaccessible molecules.

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