Download or read book The Jahn Teller Effect and Vibronic Interactions in Modern Chemistry written by Isaac Bersuker and published by Springer Science & Business Media. This book was released on 2013-06-29 with total page 328 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book The Jahn Teller Effect A Bibliographic Review written by Isaac Bersuker and published by Springer. This book was released on 1984-01-01 with total page 319 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Vibronic Interactions Jahn Teller Effect in Crystals and Molecules written by Michael D. Kaplan and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 378 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is based mostly on the reports presented at the XVth International lahn-Teller Symposium on Vibronic Interactions in Crystals and Molecules and NATO Advanced Research Workshop Colossal Magnetoresistance and Vibronic Interactions that took place at Boston on August 16-22 of the year 2000. This is the first time the Symposium took place in the USA where recently the giant splash of the attention to the 1 ahn-Teller effect occurred. This tremendous interest to the field all over the world is reflected not only in the numerous publications in many American and European 10urnals, but of the leading scientists from additionally in the Symposium's participation the well known Universities, National Laboratories and industrial companies, which was the largest in the history of the Symposium. The renaissance of the 1ahn-Teller physics is closely related to the three fundamental discoveries in science. The most significant among them is the discovery of high-Tc superconductivity by K. -A. Muller and G. Bednorz, for whom the "1ahn-Teller idea" was the motivation in their search. The result of this search is well known - a wide spectrum of the 1ahn-Teller ion based materials with Tc between 24K and 135K were found. The second discovery is the existence of a new polymorph of carbon - the C60. The microscopic analysis of all physical, chemical and biological properties of the buckyballs is based on 1ahn-Teller type of interactions. The third is colossal magnetoresistance.
Download or read book Vibronic Interactions and the Jahn Teller Effect written by Mihail Atanasov and published by Springer Science & Business Media. This book was released on 2011-11-23 with total page 451 pages. Available in PDF, EPUB and Kindle. Book excerpt: The concepts of the Jahn-Teller effect and vibronic coupling are being applied to more and more systems in both chemistry and physics. Aspects of structural chemistry such as the distortion of the nuclear framework to a lower-symmetry conformation have received an increasing attention, as well as the dynamics on the coupled potential energy surfaces. The Jahn-Teller intersections are now recognized as prototype cases of conical intersections where the nuclear motion is known to be inherently nonadiabatic in nature and interchanges freely between the different potential energy surfaces. In the condensed phase especially, the significance of the Jahn-Teller effect has been increasingly appreciated, following the discovery of superconductivity in the fullerides and of very large ("colossal") magnetoresistance in the manganite perovskites. Indeed, these materials are particularly challenging since the Jahn-Teller interaction competes with electronic correlation effects. Vibronic Interactions and the Jahn-Teller Effect: Theory and Applications provides an in-depth discussion of the Jahn-Teller effect and vibronic interactions as reflected by the contributions presented at the XX International Conference on the Jahn-Teller effect, Fribourg, Switzerland, 2010. The following topics have been treated in a clear and concise way: • Complex topologies of Jahn-Teller effect and conical intersections • Multi-state vibronic interactions on strongly coupled potential energy surfaces • Interplay of vibronic and spin-orbit coupling • Strain in Jahn-Teller systems and cooperative Jahn-Teller effect • Orbital ordering and its relation to ferromagnetism, ferroelectricity and molecular magnets • The Jahn-Teller effect in icosahedral systems • The Jahn-Teller effect and high temperature superconductivity This book is of interest to a wide audience including academic and industrial theoretical and experimental physicists, chemists, spectroscopists, and crystallographers.
Download or read book The Jahn Teller Effect written by Horst Köppel and published by Springer Science & Business Media. This book was released on 2009-12-08 with total page 912 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Jahn-Teller effect continues to be a paradigm for structural instabilities and molecular dynamical processes. This volume provides a survey of the current Jahn-Teller interactions at the interface of quantum chemistry and condensed matter physics.
Download or read book The Jahn Teller Effect and Vibronic Interactions in Modern Chemistry written by Isaac Bersuker and published by Springer. This book was released on 1984-01-01 with total page 319 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Vibronic Interactions in Molecules and Crystals written by Isaac B. Bersuker and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 434 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Vibronic Interactions Jahn Teller Effect in Crystals and Molecules written by Michael D. Kaplan and published by Springer. This book was released on 2001-10-31 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is based mostly on the reports presented at the XVth International lahn-Teller Symposium on Vibronic Interactions in Crystals and Molecules and NATO Advanced Research Workshop Colossal Magnetoresistance and Vibronic Interactions that took place at Boston on August 16-22 of the year 2000. This is the first time the Symposium took place in the USA where recently the giant splash of the attention to the 1 ahn-Teller effect occurred. This tremendous interest to the field all over the world is reflected not only in the numerous publications in many American and European 10urnals, but of the leading scientists from additionally in the Symposium's participation the well known Universities, National Laboratories and industrial companies, which was the largest in the history of the Symposium. The renaissance of the 1ahn-Teller physics is closely related to the three fundamental discoveries in science. The most significant among them is the discovery of high-Tc superconductivity by K. -A. Muller and G. Bednorz, for whom the "1ahn-Teller idea" was the motivation in their search. The result of this search is well known - a wide spectrum of the 1ahn-Teller ion based materials with Tc between 24K and 135K were found. The second discovery is the existence of a new polymorph of carbon - the C60. The microscopic analysis of all physical, chemical and biological properties of the buckyballs is based on 1ahn-Teller type of interactions. The third is colossal magnetoresistance.
Download or read book The Jahn Teller Effect in C60 and Other Icosahedral Complexes written by C. C. Chancey and published by Princeton University Press. This book was released on 2021-02-09 with total page 221 pages. Available in PDF, EPUB and Kindle. Book excerpt: Because of the high symmetry involved, the Jahn-Teller effect is the natural starting point for considering electron-phonon (or vibronic) interactions in icosahedral molecules. This work is the first comprehensive theoretical analysis of the Jahn-Teller interaction in C60 and other icosahedral complexes. The importance of this research derives in part from the increasing, widespread interest in C60 and other molecular clusters and their application in science and industry. The electrical and spectroscopic properties of fullerene and fulleride compounds depend intimately on the coupling between the electronic and vibrational modes of these systems, and this book addresses the fundamental theoretical questions. In particular, a chapter is devoted to the connection between the theory and experimental observations, such as ESR (electron spin resonance) effects and molecular spectra. Earlier books have discussed the theory of Jahn-Teller interactions in lower symmetry structures (cubic, tetrahedral, tetragonal, trigonal,...); this is the first that focuses on the new icosahedral systems, whose most famous example is Buckminsterfullerene, C60. The book's authors have over fifty years of combined research experience into the theoretical aspects of the Jahn-Teller effect.
Download or read book Symmetry through the Eyes of a Chemist written by Magdolna Hargittai and published by Springer Science & Business Media. This book was released on 2009-02-28 with total page 528 pages. Available in PDF, EPUB and Kindle. Book excerpt: It is gratifying to launch the third edition of our book. Its coming to life testi?es about the task it has ful?lled in the service of the com- nity of chemical research and learning. As we noted in the Prefaces to the ?rst and second editions, our book surveys chemistry from the point of view of symmetry. We present many examples from ch- istry as well as from other ?elds to emphasize the unifying nature of the symmetry concept. Our aim has been to provide aesthetic pl- sure in addition to learning experience. In our ?rst Preface we paid tribute to two books in particular from which we learned a great deal; they have in?uenced signi?cantly our approach to the subject matter of our book. They are Weyl’s classic, Symmetry, and Shubnikov and Koptsik’s Symmetry in Science and Art. The structure of our book has not changed. Following the Int- duction (Chapter 1), Chapter 2 presents the simplest symmetries using chemical and non-chemical examples. Molecular geometry is discussed in Chapter 3. The next four chapters present gro- theoretical methods (Chapter 4) and, based on them, discussions of molecular vibrations (Chapter 5), electronic structures (Chapter 6), and chemical reactions (Chapter 7). For the last two chapters we return to a qualitative treatment and introduce space-group sym- tries (Chapter 8), concluding with crystal structures (Chapter 9). For the third edition we have further revised and streamlined our text and renewed the illustrative material.
Download or read book Vibronic Processes in Inorganic Chemistry written by Colin D. Flint and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 388 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume reports the main lectures and seminars given at the NATO Advanced Study Institute on Vibronic Processes in Inorganic Chemistry held at Riva del Sole, Tuscany, Italy between 7th and 18th September 1988. In addition to the about 40 hours of lectures repres ented by this volume, a further fifteen lectures on current research topics were given by the other participants. Many factors contributed to the decision to hold this ASI but the final trigger was given at a meeeting in Padova when Marco Bettinelli, Lorenzo Disipio and Gianluigi Ingletto asked me to recommend a text where the diverse conceptual, spectroscopic and structural consequences of the impossibility of treating the motions of the electrons and nuclei independantly in inorganic compounds were presented. There seemed to be no suitable comprehensive text where the relationship between the relatively simple theoretical ideas and the huge range of their application in inorganic chemistry and physics was developed. The Institute and this text are a contribution to filling this gap. Seventy-nine participants from fifteen countries attended the Institute. Topics raised in the lectures and from the participants own research frequently led to discussions which went on long into the night.
Download or read book Physics of Ferroelectrics written by Karin M. Rabe and published by Springer Science & Business Media. This book was released on 2007-07-20 with total page 395 pages. Available in PDF, EPUB and Kindle. Book excerpt: The past two decades have witnessed revolutionary breakthroughs in the understanding of ferroelectric materials, both from the perspective of theory and experiment. This book addresses the paradigmatic shifts in understanding brought about by these breakthroughs, including the consideration of novel fabrication methods and nanoscale applications of these materials, and new theoretical methods such as the effective Hamiltonian approach and density functional theory.
Download or read book Computational Chemistry written by Jerzy Leszczynski and published by World Scientific. This book was released on 2001 with total page 277 pages. Available in PDF, EPUB and Kindle. Book excerpt: 1. Relativistic multireference Moller-Plesset perturbation theory / Yasuyuki Ishikawa and Marius Jonas Vilkas -- 2. 15 years of Car-Parrinello simulations in physics, chemistry and biology / Ursula Rothlisberger -- 3. Methods of combined quantum/classical (QM/MM) modeling for large organometallic and metallobiochemical systems / Isaac B. Bersuker -- 4. A review of ab initio calculations on proton transfer in zeolites / Marcel Allavena and David White -- 5. Ionic clusters with weakly interacting components-magic numbers rationalized by the shell structure / Szczepan Roszak and Jerzy Leszczynski -- 6. Turning point quantization and scalet-wavelet analysis / Carlos R. Handy
Download or read book The Effective Crystal Field Potential written by J. Mulak and published by Elsevier. This book was released on 2000-06-22 with total page 319 pages. Available in PDF, EPUB and Kindle. Book excerpt: As it results from the very nature of things, the spherical symmetry of the surrounding of a site in a crystal lattice or an atom in a molecule can never occur. Therefore, the eigenfunctions and eigenvalues of any bound ion or atom have to differ from those of spherically symmetric respective free ions. In this way, the most simplified concept of the crystal field effect or ligand field effect in the case of individual molecules can be introduced. The conventional notion of the crystal field potential is narrowed to its non-spherical part only through ignoring the dominating spherical part which produces only a uniform energy shift of gravity centres of the free ion terms. It is well understood that the non-spherical part of the effective potential "seen" by open-shell electrons localized on a metal ion plays an essential role in most observed properties. Light adsorption, electron paramagnetic resonance, inelastic neutron scattering and basic characteristics derived from magnetic and thermal measurements, are only examples of a much wider class of experimental results dependent on it. The influence is discerned in all kinds of materials containing unpaired localized electrons: ionic crystals, semiconductors and metallic compounds including materials as intriguing as high-Tc superconductors, or heavy fermion systems. It is evident from the above that we deal with a widespread effect relative to all free ion terms except those which can stand the lowered symmetry, e.g. S-terms. Despite the universality of the phenomenon, the available handbooks on solid state physics pay only marginal attention to it, merely making mention of its occurrence. Present understanding of the origins of the crystal field potential differs essentially from the pioneering electrostatic picture postulated in the twenties. The considerable development of the theory that has been put forward since then can be traced in many regular articles scattered throughout the literature. The last two decades have left their impression as well but, to the authors' best knowledge, this period has not been closed with a more extended review. This has also motivated us to compile the main achievements in the field in the form of a book.
Download or read book The Jahn Teller Effect in Molecules and Crystals written by R. Englman and published by John Wiley & Sons. This book was released on 1972 with total page 380 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Conical Intersections Theory Computation And Experiment written by Michael S Schuurman and published by World Scientific. This book was released on 2011-11-04 with total page 769 pages. Available in PDF, EPUB and Kindle. Book excerpt: The concept of adiabatic electronic potential-energy surfaces, defined by the Born-Oppenheimer approximation, is fundamental to our thinking about chemical processes. Recent computational as well as experimental studies have produced ample evidence that the so-called conical intersections of electronic energy surfaces, predicted by von Neumann and Wigner in 1929, are the rule rather than the exception in polyatomic molecules. It is nowadays increasingly recognized that conical intersections play a key mechanistic role in chemical reaction dynamics. This volume provides an up-to-date overview of the multi-faceted research on the role of conical intersections in photochemistry and photobiology, including basic theoretical concepts, novel computational strategies as well as innovative experiments. The contents and discussions will be of value to advanced students and researchers in photochemistry, molecular spectroscopy and related areas.
Download or read book Symmetry through the Eyes of a Chemist written by Istvan Hargittai and published by Springer Science & Business Media. This book was released on 2007-08-29 with total page 475 pages. Available in PDF, EPUB and Kindle. Book excerpt: We have been gratified by the warm reception of our book, by reviewers, colleagues, and students alike. Our interest in the subject matter of this book has not decreased since its first appearance; on the contrary. The first and second editions envelop eight other symmetry-related books in the creation of which we have participated: I. Hargittai (ed.), Symmetry: Unifying Human Understanding, Pergamon Press, New York, 1986. I. Hargittai and B. K. Vainshtein (eds.), Crystal Symmetries. Shubnikov Centennial Papers, Pergamon Press, Oxford, 1988. M. Hargittai and I. Hargittai, Fedezziikf6l a szimmetri6t! (Discover Sym- try, in Hungarian), Tank6nyvkiad6, Budapest, 1989. I. Hargittai (ed.), Symmetry 2: Unifying Human Understanding, Pergamon Press, Oxford, 1989. I. Hargittai (ed.), Quasicrystals, Networks, and Molecules of Fivefold Sym- try, VCH, New York, 1990. I. Hargittai (ed.), Fivefold Symmetry, World Scientific, Singapore, 1992. I. Hargittai and C. A. Pickover (eds.), Spiral Symmetry, World Scientific, Singapore, 1992. I. Hargittai and M. Hargittai, Symmetry: A Unifying Concept, Shelter Publi- tions, Bolinas, California, 1994. We have also pursued our molecular structure research, and some books have appeared related to these activities: vi Preface to the Second Edition I. Hargittai and M. Hargittai (eds.), Stereochemical Applications of Gas-Phase Electron Diffraction, Parts A and B, VCH, New York, 1988. R. Gillespie and I. Hargittai, VSEPR Model of Molecular Geometry, Allyn and Bacon, Boston, 1991. A. Domenicano and I. Hargittai (eds.), Accurate Molecular Structures, Oxford University Press, Oxford, 1992.
