Applications of Graph Theory and Topology in Inorganic Cluster and Coordination Chemistry

Applications of Graph Theory and Topology in Inorganic Cluster and Coordination Chemistry

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ISBN 9780849342981
Cat# 4298
 

Features

  • Presents ideas from topology, graph theory, and group theory in a manner suitable for chemists
  • Mathematical methods are applied to diverse groups of inorganic compounds including boron cages, metal clusters, solid state materials, metal oxide derivatives, superconductors, icosahedral phases, and carbon cages (fullerenes)
  • Covers polyhedral dynamics and includes discussions on Gale diagrams, as well as a special type of reaction graph called a topological representation
  • Relates graph-theory derived methods to recent computational results on boron cages
  • Summary

    Applications of Graph Theory and Topology in Inorganic Cluster and Coordination Chemistry is a text-reference that provides inorganic chemists with a rudimentary knowledge of topology, graph theory, and related mathematical disciplines. The book emphasizes the application of these topics to metal clusters and coordination compounds.

    The book's initial chapters present background information in topology, graph theory, and group theory, explaining how these topics relate to the properties of atomic orbitals and are applied to coordination polyhedra. Subsequent chapters apply these ideas to the structure and chemical bonding in diverse types of inorganic compounds, including boron cages, metal clusters, solid state materials, metal oxide derivatives, superconductors, icosahedral phases, and carbon cages (fullerenes). The book's final chapter introduces the application of topology and graph theory for studying the dynamics of rearrangements in coordination and cluster polyhedra.

    Table of Contents

    Topology, Graph Theory, and Polyhedra. Symmetry and Group Theory. Atomic Orbitals and Coordination Polyhedra. Delocalization in Hydrocarbons and Boranes. Relationship of Topological to Computational Methods for the Study of Delocalized Boranes. Molecular and Ionic Metal Carbonyl Clusters. Some Early Transition Metal and Coinage Metal Clusters with Special Features. Post-Transition Metal Clusters. Infinite Solid State Structures with Metal-Metal Interactions. Metal Oxides with Metal-Metal Interactions. The Icosahedron in Inorganic Chemistry: Boron Allotropes, Icosahedral Quasicrystals, and Carbon Cages. Polyhedral Dynamics.

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