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Solids and Surfaces A Chemist's View of Bonding in Extended Structures

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ISBN-10: 0471187100

ISBN-13: 9780471187103

Edition: 1988

Authors: Roald Hoffmann

List price: $180.00
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Description:

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.
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Book details

List price: $180.00
Copyright year: 1988
Publisher: John Wiley & Sons, Incorporated
Publication date: 1/13/1989
Binding: Hardcover
Pages: 152
Size: 6.00" wide x 9.00" long x 0.75" tall
Weight: 0.792
Language: English

Born in Zloczow, Poland, Roald Hoffmann escaped the annihilation of Polish Jews by the Germans during World War II and immigrated to the United States in 1949. He received a B.A. from Columbia University and a Ph.D. from Harvard University. While at Harvard, he and Robert Burns Woodward developed the Woodward-Hoffmann rules on the conservation of orbital symmetry during a chemical reaction by applying principles of quantum theory. These rules enabled scientists to predict an important class of organic reactions. Hoffmann went to work at Cornell University in 1965. In 1981 he shared the Nobel Prize for chemical reaction theory with Kenichi Fukui (who independently had developed an orbital theory in the 1950s).

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