Electronic Structure and Properties of Transition Metal Compounds

Theory and Applications

Isaac B. Bersuker, Yang Liu

• Publisher: Wiley
• Year: 2025
• Print ISBN: 9781394178896
• eBook ISBN: 9781394178902
• Edition: 3
• Topic: Physical Sciences
• Subtopic: Inorganic Chemistry

Presents the latest achievements in the theory of electronic structure and properties of transition metal coordination compounds with applications to a range of chemical and physical problems

Electronic Structure and Properties of Transition Metal Compounds offers a detailed and authoritative account of the theory of electronic structure and the properties of transition metal compounds with applications to various chemical and physical problems.

The fully updated third edition incorporates recent developments and methods in the field, including new coverage of methods of ab initio calculations of the electronic structure of coordination compounds and the application of vibronic coupling and the Jahn-Teller effect to solve coordination chemistry problems. Revised chapters provide up-to-date views on reactivity, chemical activation, and catalysis. New and expanded questions, exercises, and problems in each chapter are supported by new problem-solving examples, illustrations, graphic presentations, and references.

Designed to be intelligible to advanced students, researchers, and instructors, Electronic Structure and Properties of Transition Metal Compounds:

• Provides thorough coverage of the theory underlying the electronic structure and properties of transition metal compounds, including the physical methods of their investigation
• Helps readers understand the origin of observable properties in transition metal compounds and choose a suitable method of their investigation
• Contains numerous problems with solutions and illustrative examples demonstrating the application of the theory to solving specific chemical and physical problems
• Presents a generalized view of the modern state of the field, beginning from the main ideas of quantum chemistry and atomic states to applications to various chemical and physical problems
• Features novel problems never fully considered in books on coordination chemistry, such as relativistic effects in bonding, optical band shapes, and electron transfer in mixed-valence compounds

Electronic Structure and Properties of Transition Metal Compounds: Theory and Applications, Third Edition is an excellent textbook for graduate and advanced undergraduate chemistry students, as well as a useful reference for inorganic, bioinorganic, coordination, organometallic, and physical chemists and industrial and academic researchers working in catalysis, organic synthesis, materials science, and physical methods of investigation.

Table of contents

• Cover
• Title Page
• Copyright Page
• „Contents
• Preface to the Third Edition
• Extract from the Preface to the Second Edition
• Extracts from the Preface to the First Edition
• Foreword to the First Edition
• Mathematical Symbols
• Abbreviations
• Chapter 1 Introduction: Subject and Methods
• Chapter 2 Atomic States
• Chapter 3 Symmetry Ideas and Group-Theoretical Description
• Chapter 4 Crystal Field Theory
• Chapter 5 Molecular Orbitals and Related Description of Electronic Structure
• Chapter 6 Electronic Structure and Chemical Bonding
• Chapter 7 Vibronic Coupling in Formation, Deformation, and Transformation of Polyatomic Systems. The Jahn–Teller Effects
• Chapter 8 Electronic Structure Investigated by Physical Methods
• Chapter 9 Stereochemistry and Crystal Chemistry
• Chapter 10 Charge Transfer, Redox Properties, and Electron-conformational Effects
• Chapter 11 Reactivity and Catalytic Action
• Appendix 1. Tables of Characters of Irreducible Representations of Most Usable Symmetry Point Groups and Direct Products of Some Representations
• Appendix 2. General Expressions for the Matrix Element Vmm of Perturbation of the States of one d Electron in Crystal Fields of Arbitrary Symmetry
• Appendix 3. Calculation of the Destabilization and Splitting of the States of One d Electron in Crystal Fields of Different Symmetries
• Appendix 4. Matrix Elements of Crystal Field Perturbation of a Two-Electron Term F(nd)2, Vij, i, j = 1,2,…, 7 Expressed by One-Electron Matrix Elements Vmm Given in Appendix 2
• Appendix 5. Matrix Elements of Crystal Field Perturbation of f-Electron States
• Answers and Solutions
• Subject Index
• EULA