Solids and Surfaces: A Chemist's View of Bonding in Extended Structures / Edition 1

by Roald Hoffmann

Overview

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.

Product Details

ISBN-13:	9780471187103
Publisher:	Wiley
Publication date:	01/16/1991
Pages:	160
Product dimensions:	5.70(w) x 8.70(h) x 0.60(d)

About the Author

Roald Hoffmann, born in Zloczow, Poland but educated in the US, is the Frank H. T. Rhodes Professor of Humane Letters at Cornell University. One of America's most distinguished chemists, he was awarded the Nobel Prize in Chemistry. A member of the US National Academy of Sciences and the American Academy of Arts and Sciences as well as many foreign academies, Hoffmann has received 26 honorary doctorates together with numerous other honors such as the National Medal of Science. Hoffmann is the only person ever to receive the American Chemical Society's top awards in three sub- disciplines: organic chemistry, inorganic chemistry, and chemical education. For the past dozen years, Hoffmann has simultaneously pursued a literary career. He is the author of three books of poetry, "The Metamict State", "Gaps and Verges", and "Memory Effects". His three non-fiction books deal with the overall theme of the creative and humanistic sparks of chemistry: An art/science/literature collaboration with artist Vivian Torrence, "Chemistry Imagined"; "The Same and Not the Same"; and "Old Wine, New Flasks: Reflections on Science and Jewish Tradition," in collaboration with Shira Leibowitz Schmidt. Hoffmann is also is the presenter of a television course, "The World of Chemistry", which has aired on many PBS Stations and abroad.

Table of Contents

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

Editorial Reviews

Two articles previously published in Angewandte chemie and Reviews of modern physics show chemists the language necessary to understand the electronic structure of extended systems and demonstrate how a chemical and frontier-orbital approach to solid state and surface bonding and reactivity may be constructed. Acidic paper. Annotation c. Book News, Inc., Portland, OR (booknews.com)

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