Explains the underlying structure that unites all disciplinesin chemistry
Now in its second edition, this book explores organic,organometallic, inorganic, solid state, and materials chemistry,demonstrating how common molecular orbital situations arisethroughout the whole chemical spectrum. The authors explore therelationships that enable readers to grasp the theory thatunderlies and connects traditional fields of study withinchemistry, thereby providing a conceptual framework with which tothink about chemical structure and reactivity problems.
Orbital Interactions in Chemistry begins by developingmodels and reviewing molecular orbital theory. Next, the bookexplores orbitals in the organic-main group as well as in solids.Lastly, the book examines orbital interaction patterns that occurin inorganic-organometallic fields as well as clusterchemistry, surface chemistry, and magnetism in solids.
This Second Edition has been thoroughly revised andupdated with new discoveries and computational tools since thepublication of the first edition more than twenty-five years ago.Among the new content, readers will find:
* Two new chapters dedicated to surface science and magneticproperties
* Additional examples of quantum calculations, focusing oninorganic and organometallic chemistry
* Expanded treatment of group theory
* New results from photoelectron spectroscopy
Each section ends with a set of problems, enabling readers totest their grasp of new concepts as they progress through the text.Solutions are available on the book's ftp site.
Orbital Interactions in Chemistry is written for bothresearchers and students in organic, inorganic, solid state,materials, and computational chemistry. All readers will discoverthe underlying structure that unites all disciplines inchemistry.
Autorentext
THOMAS A. ALBRIGHT, PhD, is Professor Emeritus in theDepartment of Chemistry at the University of Houston. He was aCamille and Henry Dreyfus Teacher-Scholar and an Alfred P. SloanResearch Fellow. He has been interested in exploring reactiondynamics in organometallic chemistry.
The late JEREMY K. BURDETT, PhD, was Professor and Chairof the Chemistry Department at the University of Chicago. Dr.Burdett was awarded the Tilden Prize and Meldola Medal by the RoyalSociety of Chemistry. He was also a Camille and Henry DreyfusTeacher-Scholar and a Fellow of the John Guggenheim MemorialFoundation and Alfred P. Sloan Foundation.
MYUNG-HWAN WHANGBO, PhD, is Distinguished Professor inthe Chemistry Department of North Carolina State University. He hasbeen awarded the Camille and Henry Dreyfus Fellowship, theAlexander von Humboldt Research Award to Senior Scientists, theHo-Am Prize in Science, and Docteur Honoris Causa from Universit deNantes.
Klappentext
Explains the underlying structure that unites all disciplines in chemistry
Now in its second edition, this book explores organic, organometallic, inorganic, solid state, and materials chemistry, demonstrating how common molecular orbital situations arise throughout the whole chemical spectrum. The authors explore the relationships that enable readers to grasp the theory that underlies and connects traditional fields of study within chemistry, thereby providing a conceptual framework with which to think about chemical structure and reactivity problems.
Orbital Interactions in Chemistry begins by developing models and reviewing molecular orbital theory. Next, the book explores orbitals in the organic-main group as well as in solids. Lastly, the book examines orbital interaction patterns that occur in inorganic–organometallic fields as well as cluster chemistry, surface chemistry, and magnetism in solids.
This Second Edition has been thoroughly revised and updated with new discoveries and computational tools since the publication of the first edition more than twenty-five years ago. Among the new content, readers will find:
- Two new chapters dedicated to surface science and magnetic properties
- Additional examples of quantum calculations, focusing on inorganic and organometallic chemistry
- Expanded treatment of group theory
- New results from photoelectron spectroscopy
Each section ends with a set of problems, enabling readers to test their grasp of new concepts as they progress through the text. Solutions are available on the book's ftp site.
Orbital Interactions in Chemistry is written for both researchers and students in organic, inorganic, solid state, materials, and computational chemistry. All readers will discover the underlying structure that unites all disciplines in chemistry.
Zusammenfassung
Explains the underlying structure that unites all disciplinesin chemistry
Now in its second edition, this book explores organic,organometallic, inorganic, solid state, and materials chemistry,demonstrating how common molecular orbital situations arisethroughout the whole chemical spectrum. The authors explore therelationships that enable readers to grasp the theory thatunderlies and connects traditional fields of study withinchemistry, thereby providing a conceptual framework with which tothink about chemical structure and reactivity problems.
Orbital Interactions in Chemistry begins by developingmodels and reviewing molecular orbital theory. Next, the bookexplores orbitals in the organic-main group as well as in solids.Lastly, the book examines orbital interaction patterns that occurin inorganic-organometallic fields as well as clusterchemistry, surface chemistry, and magnetism in solids.
This Second Edition has been thoroughly revised andupdated with new discoveries and computational tools since thepublication of the first edition more than twenty-five years ago.Among the new content, readers will find:
* Two new chapters dedicated to surface science and magneticproperties
* Additional examples of quantum calculations, focusing oninorganic and organometallic chemistry
* Expanded treatment of group theory
* New results from photoelectron spectroscopy
Each section ends with a set of problems, enabling readers totest their grasp of new concepts as they progress through the text.Solutions are available on the book's ftp site.
Orbital Interactions in Chemistry is written for bothresearchers and students in organic, inorganic, solid state,materials, and computational chemistry. All readers will discoverthe underlying structure that unites all disciplines inchemistry.
Inhalt
Preface xi
About the Authors xiii
Chapter 1 Atomic and Molecular Orbitals 1
1.1 Introduction 1
1.2 Atomic Orbitals 1
1.3 Molecular Orbitals 7
Chapter 2 Concepts of Bonding and Orbital Interaction 15
2.1 Orbital Interaction Energy 15
2.2 Molecular Orbital Coefficients 20
2.3 The Two-Orbital Problem-Summary 24
2.4 Electron Density Distribution 26
Chapter 3 Perturbational Molecular Orbital Theory 32
3.1 Introduction 32
3.2 Intermolecular Perturbation 35
3.3 Linear H3, HF, and the Three-Orbital Problem 38
3.4 Degenerate Perturbation 43
Chapter 4 Symmetry 47
4.1 Introduction 47
4.2 Symmetry of Molecules 47
4.3 Representations of Groups 53
4.4 Symmetry Properties of Orbitals 59
4.5 Symmetry-Adapted Wavefunctions 62
4.6 Direct Products 65
4.7 Symmetry Properties, Integrals, and the Noncrossing Rule 67
4.8 Principles of Orbital Construction Using Symmetry Principles 69
4.9 Symmetry Properties of Molecular Vibrations 73
Chapter 5 Molecular Orbital Construction from Fragment Orbitals 78
5.1 Introduction 78
5.2 Triangular…