© 1992

Spectroscopic and Computational Studies of Supramolecular Systems

  • J. E. D. Davies

Part of the Topics in Inclusion Science book series (TISC, volume 4)

Table of contents

  1. Front Matter
    Pages i-xiv
  2. John A. Ripmeester, Christopher I. Ratcliffe
    Pages 1-27
  3. Horst Förster
    Pages 29-60
  4. Edwin A. C. Lucken
    Pages 61-82
  5. Evelyne Cohen De Lara, Remi Kahn
    Pages 83-114
  6. James O. Titiloye, Petra Tschaufeser, Stephen C. Parker
    Pages 137-185
  7. P. Mark Rodger
    Pages 239-267
  8. Back Matter
    Pages 299-303

About this book


Physical techniques such as X-ray crystallography, IR spectroscopy and solution-phase NMR spectroscopy have played key roles in the development of supramolecular chemistry.
In recent years other spectroscopic techniques have been applied, expanding the range of information obtainable. The most widely used technique is solid-state NMR spectroscopy but techniques such as neutron scattering and NQR spectroscopy can yield significant information.
Computational approaches are now becoming powerful complementary methods to experimental techniques and this book reviews the application of these methods to supramolecular systems.
The ten chapters provide up-to-date information on the applications of spectroscopic and computational techniques to a wide range of supramolecular systems:
Solid State NMR Studies of Host-Guest Materials
Infrared Studies of Zeolite Complexes
NQR Studies of Inclusion Compounds
Neutron Scattering Studies of Zeolite Complexes
Solid State NMR Studies of Catalytic Reactions on Molecular Sieves
Recent Advances in Computational Studies of Zeolites
Theoretical Studies of Cyclodextrins and their Inclusion Complexes
Computer Modelling of the Structures of Host-Guest Complexes
Computational Studies of Clathrate Hydrates
Ab initio Electronic Structure Calculations on Endohedral Complexes of the C60 Cluster.
This timely book will prove to be of great value to supramolecular researchers who are familiar with the spectroscopic techniques but who wish to extend their knowledge of the computational methods (and vice versa), to supramolecular researchers working in allied areas whose work would benefit from applying spectroscopic and computational methods, and finally to workers just entering the fascinating area of supramolecular chemistry.


Compound NMR X-ray chemistry crystal development experiment information neutron diffraction neutron scattering nuclear magnetic resonance (NMR) phase spectroscopy structure supramolecular chemistry

Editors and affiliations

  • J. E. D. Davies
    • 1
  1. 1.Environmental Science Division, Institute of Environmental and Biological SciencesLancaster UniversityUK

Bibliographic information

  • Book Title Spectroscopic and Computational Studies of Supramolecular Systems
  • Editors J.E. Davies
  • Series Title Topics in Inclusion Science
  • DOI
  • Copyright Information Springer Science+Business Media B.V. 1992
  • Publisher Name Springer, Dordrecht
  • eBook Packages Springer Book Archive
  • Hardcover ISBN 978-0-7923-1958-0
  • Softcover ISBN 978-90-481-4203-3
  • eBook ISBN 978-94-015-7989-6
  • Series ISSN 0923-6732
  • Edition Number 1
  • Number of Pages XIV, 303
  • Number of Illustrations 0 b/w illustrations, 0 illustrations in colour
  • Topics Analytical Chemistry
    Theoretical and Computational Chemistry
    Polymer Sciences
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