MTU Cork Library Catalogue

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Solids and surfaces : a chemist's view of bonding in extended structures / Roald Hoffman.

By: Hoffmann, Roald.
Material type: materialTypeLabelBookPublisher: New York, NY : VCH Publishers, 1988Description: x, 142 p. : ill. ; 22 cm. + hbk.ISBN: 0895737094.Subject(s): Chemical bonds | Surface chemistry | Solid state chemistryDDC classification: 530.41
Contents:
Introduction -- Orbitals and bands in one dimension -- Bloch functions, k, band structures -- Band width -- See how they run -- An eclipsed stack of pt(2) 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:the thcr2si2 structure -- The frontier orbital perspective -- Orbital interaction perspective -- A case study:co on ni(100) -- Barriers to chemisorption -- Chemisorption is a compromise -- Frontiers orbitals in three dimensional extended structures -- More than 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.
Holdings
Item type Current library Call number Copy number Status Date due Barcode Item holds
General Lending MTU Bishopstown Library Lending 530.41 (Browse shelf(Opens below)) 1 Available 00024790
Total holds: 0

Enhanced descriptions from Syndetics:

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.

Includes bibliographical references (pages 133-138) and index.

Introduction -- Orbitals and bands in one dimension -- Bloch functions, k, band structures -- Band width -- See how they run -- An eclipsed stack of pt(2) 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:the thcr2si2 structure -- The frontier orbital perspective -- Orbital interaction perspective -- A case study:co on ni(100) -- Barriers to chemisorption -- Chemisorption is a compromise -- Frontiers orbitals in three dimensional extended structures -- More than 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.

Table of contents provided by Syndetics

  • 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

Author notes provided by Syndetics

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).

(Bowker Author Biography)

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