Spectroscopic and Computational Studies of Supramolecular Systems

1992
ISBN: 978-0-7923-1958-0
Verlag: Springer Netherlands

Buch, Englisch, 303 Seiten, Format (B × H): 160 mm x 241 mm, Gewicht: 647 g

Reihe: Topics in Inclusion Science

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
Electronic Structure Calculations on Endohedral Complexes of the C 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 ), 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.

Zielgruppe

Research

Autoren/Hrsg.

Davies, J. E.

Fachgebiete

• Naturwissenschaften Chemie Physikalische Chemie Quantenchemie, Theoretische Chemie
• Naturwissenschaften Chemie Organische Chemie Polymerchemie
• Naturwissenschaften Chemie Analytische Chemie Massenspektrometrie, Spektroskopie, Spektrochemie
• Technische Wissenschaften Verfahrenstechnik | Chemieingenieurwesen | Biotechnologie Technologie der Kunststoffe und Polymere
• Technische Wissenschaften Maschinenbau | Werkstoffkunde Technische Mechanik | Werkstoffkunde Materialwissenschaft: Polymerwerkstoffe

Inhaltsverzeichnis

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.