Solids and Surfaces: A Chemist s View of Bonding I N Extended - Structures Wiley Classics Library

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.

List 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

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.

Summary

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

• Authors: Roald Hoffman, R Hoffmann, Roald Hoffmann
• Publisher: Wiley, John and Sons Ltd
• Languages: English
• Product format: Paperback / Softback
• Released: 31.03.2021
• EAN: 9781119809913
• ISBN: 978-1-119-80991-3
• No. of pages: 160
• Subjects: Natural sciences, medicine, IT, technology > Chemistry > Physical chemistry; Chemie, chemistry, chemische Bindung, Surface & Colloid Chemistry, Oberflächen- u. Kolloidchemie