Chapter 18. Density Functional Model Cluster Studies of Metal Cations, Atoms, Complexes, and Clusters in Zeolites

  1. Dr. Franco Laeri2,
  2. Prof. Dr. Ferdi Schüth3,
  3. Prof. Dr. Ulrich Simon4 and
  4. Dr. Michael Wark5
  1. Notker Rösch,
  2. Georgi N. Vayssilov and
  3. Konstantin M. Neyman

Published Online: 28 JAN 2005

DOI: 10.1002/3527602674.ch18

Host-Guest-Systems Based on Nanoporous Crystals

Host-Guest-Systems Based on Nanoporous Crystals

How to Cite

Rösch, N., Vayssilov, G. N. and Neyman, K. M. (2003) Density Functional Model Cluster Studies of Metal Cations, Atoms, Complexes, and Clusters in Zeolites, in Host-Guest-Systems Based on Nanoporous Crystals (eds F. Laeri, F. Schüth, U. Simon and M. Wark), Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim, FRG. doi: 10.1002/3527602674.ch18

Editor Information

  1. 2

    Institute of Applied Physics, Technical University Darmstadt, Schloßgartenstr. 7, 64289 Darmstadt, Germany

  2. 3

    Max-Planck-Institute of Coal Research, Kaiser-Wilhelm-Platz 1, 45470 Mülheim an der Ruhr, Germany

  3. 4

    Institute of Inorganic Chemistry, RWTH Aachen, Professor-Pirlet-Str. 1, 52074 Aachen, Germany

  4. 5

    Institute of Physical Chemistry and Electrochemistry, Hannover University, Callinstr. 3-3a, 30167 Hannover, Germany

Author Information

  1. Institute of Physical and Theoretical Chemistry, Technical University of Munich, Lichtenbergstr. 4, 85747 Garching, Germany

Publication History

  1. Published Online: 28 JAN 2005
  2. Published Print: 8 AUG 2003

ISBN Information

Print ISBN: 9783527305018

Online ISBN: 9783527602674

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Keywords:

  • density functional model cluster studies;
  • metal cations;
  • atoms;
  • complexes;
  • clusters;
  • zeolites;
  • transition metal clusters;
  • Pt4 clusters

Summary

  • Introduction

  • Metal Cations in Zeolites

    • Location of Cations

      • Alkali Cations

      • Alkaline-Earth Cations

      • Rhodium Cation

    • Influence of Metal Cations on the Properties of Zeolites

      • Basicity

      • Brønsted Acidity

    • Interaction of Guest Molecules with Cations

      • Carbon Monoxide

      • Nitrogen Molecule

      • Methane

      • Methanol

  • Transition Metal Clusters in Zeolites

    • Charge and Adsorption Properties of Small Metal Clusters

      • Electron-Deficient Palladium Clusters

      • Pt4 Clusters

    • Structure of Metal Clusters in Zeolite Cages: Case Study of Ir4

  • Future Trends

  • Acknowledgements

  • References