Solids and surfaces : a chemist's view of bonding in extended structures

著者

書誌事項

Solids and surfaces : a chemist's view of bonding in extended structures

Roald Hoffman

Wiley-VCH, c1988

大学図書館所蔵 件 / 全18件

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注記

Originally published as ISBN 0-89573-709-4

Bibliography: p. 133-138

Includes index

内容説明・目次

内容説明

This unique book shows how chemistry and physics come together in the solid state and on surfaces. Using a lively, graphic, descriptive approach, it teaches chemists the language that is necessary to understand the electronic structure of extended systems. And, at the same time, it demonstrates how a chemical, frontier-orbital, approach to solid state and surface bonding and reactivity may be constructed. The book begins with the language of crystal orbitals, band structures and densities of states. The tools for moving back from the highly delocalized orbitals of the solid are then built up in a transparent manner; they include decompositions of the densities of states and crystal orbital overlap populations. Using these tools, the book shapes a meeting ground between detailed quantum mechanical calculations and a chemical frontier orbital perspec- tive. Applications include a general picture of chemisorption, bond-breaking and making in the solid state, bonding in metals, the electronic structure of selected conducting and supercon- ducting structures, dissociation, migration and coupling on surfaces and the forces controlling deformation of extended systems.

目次

Preface Introduction Orbitals and Bands in One Dimension Bloch Functions, k, Band Structures Band Width See How they Run An Eclipsed Stack of Pt(II) Square Planar Complexes The Fermi Level More Dimensions, At Least Two Setting Up a Surface Problem Density of States Where Are The Electrons? The Detective Work of Tracing Molecule-Surface Interactions: Decomposition of the DOS Where Are the Bonds? A Solid State Sample Problem: ThCr_2Si_2 Structure The Frontier Orbital Perspective Orbital Interaction on a Surface A Case Study: CO on Ni(100) Barriers to Chemisorption Chemisorption Is a Compromise Frontiers Orbitals in Three-Dimensional Extended Structures More Than One Electronic Unit in the Unit Cell, Folding Bands Making Bonds in a Crystal The Peierls Distortion A Brief Excursion into the Third Dimension Qualitative Reasoning About Orbital Interactions on Surfaces The Fermi Level Matters Another Methodology and Some Credits What's New in the Solid References Index

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