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Experimental Approaches to Interaction Energies and Structures in Supramolecular Complexes

  • H.-J. Schneider
  • V. Rüdiger
  • M. Wang
Chapter
  • 112 Downloads
Part of the NATO ASI Series book series (ASIC, volume 426)

Abstract

Empirical approaches to interaction energies and structures in host-guest complexes are explored based on experimental association free energies ΔGcplx and NMR investigations. It is shown how additive increments can be used to describe within limits of sufficient matching between binding sites and of negligible strain variations total ΔGcplx values for organic ion pairs, inluding DNA groove binders, for crown ether and cryptand complexes with alkali metals, and for porphyrin associations. The important role as well as deficiencies of force field methods within this LFER-type of analysis of non-covalent interactions is discussed, also with respect to semiempirical NMR shielding calculations.

Keywords

Crown Ether Salt Bridge Mobile Host Supramolecular Chemistry Supramolecular Complex 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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Copyright information

© Springer Science+Business Media Dordrecht 1994

Authors and Affiliations

  • H.-J. Schneider
    • 1
  • V. Rüdiger
    • 1
  • M. Wang
    • 1
  1. 1.FR Organische Chemie der Universität des SaarlandesSaarbrückenGermany

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