The first half of the title of this book may delude the uninitiated reader. The term '"Jahn-Teller effect," taken literally, refers to a special effect inherent in particular molecular systems. Actually, this term implies a new approach to the general problem of correlations between the structure and properties of any molecular polyatomic system, including solids. Just such a new approach, or concept (in some sense, a new outlook or even a new way of thinking), which leads not to one special effect but to a series of different effects and laws, is embodied in the many ( ~ 4000) studies devoted to the investigation and application of the Jahn-Teller effect. The term "vibronic interactions" seems to be most appropriate to the new concept, and this explains the origin of the second half of the title. The primary objective of this book is to present a systematic develop ment of the concept of vibronic interactions and its applications, and to illustrate its possibilities and significance in modern chemistry. In the first three chapters (covering about one-third of the book) the theoretical background of the vibronic concept and Jahn-Teller effect is given. The basic ideas are illustrated fully, although a comprehensive presentation of the theory with all related mathematical deductions is beyond the scope of this book. In the last three chapters the applications of theory to spectro scopy, stereochemistry and crystal chemistry, reactivity, and catalysis, are illustrated by a series of effects and laws.
With more than 40% new and revised materials, this second edition offers researchers and students in the field a comprehensive understanding of fundamental molecular properties amidst cutting-edge applications. Including ~70 Example-Boxes and summary notes, questions, exercises, problem sets, and illustrations in each chapter, this publication is also suitable for use as a textbook for advanced undergraduate and graduate students. Novel material is introduced in description of multi-orbital chemical bonding, spectroscopic and magnetic properties, methods of electronic structure calculation, and quantum-classical modeling for organometallic and metallobiochemical systems. This is an excellent reference for chemists, researchers and teachers, and advanced undergraduate and graduate students in inorganic, coordination, and organometallic chemistry.
Vibronic interaction effects constitute a new field of investigation in the physics and chemistry of molecules and crystals that combines all the phenomena and laws originating from the mixing of different electronic states by nuclear displacements. This field is based on a new concept which goes beyond the separate descriptions of electronic and nuclear motions in the adiabatic approximation. Publications on this topic often appear under the title of the lahn-Thller effect, although the area of application of the new approach is much wider: the term vibronic interaction seems to be more appropriate to the field as a whole. The present understanding of the subject was reached only recently, during the last quarter of a century. As a result of intensive development of the theory and experiment, it was shown that the nonadiabatic mixing of close-in-energy elec tronic states under nuclear displacements and the back influence of the modified electronic structure on the nuclear dynamics result in a series of new effects in the properties of molecules and crystals. The applications of the theory of vibronic in of spectroscopy [including visible, ultraviolet, in teractions cover the full range frared, Raman, EPR, NMR, nuclear quadrupole resonance (NQR), nuclear gam ma resonance (NOR), photoelectron and x-ray spectroscopy], polarizability and magnetic susceptibility, scattering phenomena, ideal and impurity crystal physics and chemistry (including structural as well as ferroelectric phase transitions), stereochemistry and instability of molecular (including biological) systems, mechanisms of chemical reactions and catalysis.
The first half of the title of this book may delude the uninitiated reader. The term '"Jahn-Teller effect," taken literally, refers to a special effect inherent in particular molecular systems. Actually, this term implies a new approach to the general problem of correlations between the structure and properties of any molecular polyatomic system, including solids. Just such a new approach, or concept (in some sense, a new outlook or even a new way of thinking), which leads not to one special effect but to a series of different effects and laws, is embodied in the many ( ~ 4000) studies devoted to the investigation and application of the Jahn-Teller effect. The term "vibronic interactions" seems to be most appropriate to the new concept, and this explains the origin of the second half of the title. The primary objective of this book is to present a systematic develop ment of the concept of vibronic interactions and its applications, and to illustrate its possibilities and significance in modern chemistry. In the first three chapters (covering about one-third of the book) the theoretical background of the vibronic concept and Jahn-Teller effect is given. The basic ideas are illustrated fully, although a comprehensive presentation of the theory with all related mathematical deductions is beyond the scope of this book. In the last three chapters the applications of theory to spectro scopy, stereochemistry and crystal chemistry, reactivity, and catalysis, are illustrated by a series of effects and laws.
This book covers the theory underlying the electronic structure and properties of transition metal compounds, including physical methods of their investigation. The new edition has been thoroughly updated and incorporates many new developments and methods in the field. The content of the third edition has gone through significant changes with the entire book modified and updated to take into account the developments in the field since the last edition published, as well as based on the readers experience with the use of the book. The most significant changes are due to Chapters 5, 7, and 11. Chapter 5 has been thoroughly rewritten to take into account the fast developing methods of ab initio calculations of electronic structure of coordination compounds. Similarly, chapter 7 includes the latest developments in application of vibronic coupling and the Jahn-Teller and pseudo Jahn-Teller effects to solve coordination chemistry problems. In chapter 11, the more up-to-date views on reactivity, chemical activation, and catalysis are discussed, including the role of the pseudo Jahn-Teller effect. Additionally the questions, exercises, and problems to each chapter of the book have been reviewed and extended, and more problem solving examples are included. Similarly, additional illustrations, graphic presentations, and references have been added.
Providing a general approach to understanding the properties of molecules and crystals and their origins, the Jahn-Teller effect is a fascinating phenomena in modern physics and chemistry. Its effect inspired one of the most important recent scientific discoveries--the concept of high-temperature superconductivity. This comprehensive volume presents the background of the theory and its key applications in physics and chemistry, as well as more recent achievements.
Vibronic interaction effects constitute a new field of investigation in the physics and chemistry of molecules and crystals that combines all the phenomena and laws originating from the mixing of different electronic states by nuclear displacements. This field is based on a new concept which goes beyond the separate descriptions of electronic and nuclear motions in the adiabatic approximation. Publications on this topic often appear under the title of the lahn-Thller effect, although the area of application of the new approach is much wider: the term vibronic interaction seems to be more appropriate to the field as a whole. The present understanding of the subject was reached only recently, during the last quarter of a century. As a result of intensive development of the theory and experiment, it was shown that the nonadiabatic mixing of close-in-energy elec tronic states under nuclear displacements and the back influence of the modified electronic structure on the nuclear dynamics result in a series of new effects in the properties of molecules and crystals. The applications of the theory of vibronic in of spectroscopy [including visible, ultraviolet, in teractions cover the full range frared, Raman, EPR, NMR, nuclear quadrupole resonance (NQR), nuclear gam ma resonance (NOR), photoelectron and x-ray spectroscopy], polarizability and magnetic susceptibility, scattering phenomena, ideal and impurity crystal physics and chemistry (including structural as well as ferroelectric phase transitions), stereochemistry and instability of molecular (including biological) systems, mechanisms of chemical reactions and catalysis.
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