Download or read book Vibronic Coupling Density written by Tatsuhisa Kato and published by Springer Nature. This book was released on 2021-06-18 with total page 122 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book introduces vibronic coupling density and vibronic coupling constant analyses as a way to understand molecular structure and chemical reactions. After quantum study, the behavior of electrons circulating around nuclei led to the principal concept that underlies all explanations in chemistry. Many textbooks have given plausible explanations to clarify molecular structure—for example, the bond elongation of ethylene under anionization and the nonplanar structure of ammonia. Frontier molecular orbital concepts were proposed to visualize the path of chemical reactions, and conventional explanations gave students a familiarity with molecular structures in terms of the electronic state. By contrast, this book offers a more rational and more convincing path to understanding. It starts from the ab initio molecular Hamiltonian and provides systematic, rational approaches to comprehend chemical phenomena. In this way, the book leads the reader to a grasp of the quantitative evaluation of the force applied under the molecular deformation process. As well, guidelines are offered for integrating the traditional “hand-waving” approach of chemistry with more rational and general VCD and VCC alternatives along with the outlook for newly functionalized chemical systems.
Download or read book Vibronic Coupling written by Gad Fischer and published by . This book was released on 1984 with total page 234 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Vibronic Coupling Density written by Tatsuhisa Kato and published by Springer. This book was released on 2021-06-19 with total page 113 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book introduces vibronic coupling density and vibronic coupling constant analyses as a way to understand molecular structure and chemical reactions. After quantum study, the behavior of electrons circulating around nuclei led to the principal concept that underlies all explanations in chemistry. Many textbooks have given plausible explanations to clarify molecular structure—for example, the bond elongation of ethylene under anionization and the nonplanar structure of ammonia. Frontier molecular orbital concepts were proposed to visualize the path of chemical reactions, and conventional explanations gave students a familiarity with molecular structures in terms of the electronic state. By contrast, this book offers a more rational and more convincing path to understanding. It starts from the ab initio molecular Hamiltonian and provides systematic, rational approaches to comprehend chemical phenomena. In this way, the book leads the reader to a grasp of the quantitative evaluation of the force applied under the molecular deformation process. As well, guidelines are offered for integrating the traditional “hand-waving” approach of chemistry with more rational and general VCD and VCC alternatives along with the outlook for newly functionalized chemical systems.
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 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 Advances in Quantum Chemistry written by and published by Academic Press. This book was released on 1983-02-15 with total page 276 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Quantum Chemistry
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 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 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 Modern Electronic Structure Theory written by David Yarkony and published by World Scientific. This book was released on 1995 with total page 772 pages. Available in PDF, EPUB and Kindle. Book excerpt: Modern Electronic Structure Theory provides a didactically oriented description of the latest computational techniques in electronic structure theory and their impact in several areas of chemistry. The book is aimed at first year graduate students or college seniors considering graduate study in computational chemistry, or researchers who wish to acquire a wider knowledge of this field.
Download or read book Carotenoids in Photosynthesis written by A. Young and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 508 pages. Available in PDF, EPUB and Kindle. Book excerpt: Significant developments in recent years have led to a deeper understanding of the role and function of carotenoids in photosynthesis. For the first time the biological, biochemical, and chemical aspects of the role of these pigments in photosynthesis are brought together in one comprehensive reference volume. Chapters focus on the photochemistry of carotenoids in light harvesting and photoprotection, the nature and distribution of carotenoids in photosynthetic organisms, their biosynthesis, the herbicidal inhibition of carotenogenesis and the `xanthophyll cycle'. Throughout details are given of the various methodologies used. A detailed appendix provides physical data for the major compounds. Carotenoids in Photosynthesis is an invaluable reference source for all plant scientists.
Download or read book Molecular Magnetism From Molecular Assemblies to the Devices written by E. Coronado and published by Springer Science & Business Media. This book was released on 2013-03-09 with total page 595 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular Magnetism: From Molecular Assemblies to the Devices reviews the state of the art in the area. It is organized in two parts, the first of which introduces the basic concepts, theories and physical techniques required for the investigation of the magnetic molecular materials, comparing them with those used in the study of classical magnetic materials. Here the reader will find: (i) a detailed discussion of the electronic processes involved in the magnetic interaction mechanisms of molecular systems, including electron delocalization and spin polarization effects; (ii) a presentation of the available theoretical models based on spin and Hubbard Hamiltonians; and (iii) a description of the specific physical investigative techniques used to characterize the materials. The second part presents the different classes of existing magnetic molecular materials, focusing on the possible synthetic strategies developed to date to assemble the molecular building blocks ranging from purely organic to inorganic materials, as well as on their physical properties and potential applications. These materials comprise inorganic and organic ferro- and ferrimagnets, high nuclearity organic molecules and magnetic and metallic clusters, spin crossover systems, charge transfer salts (including fulleride salts and organic conductors and superconductors), and organized soft media (magnetic liquid crystals and Langmuir-Blodgett films).
Download or read book Advances in Chemical Physics written by Ilya Prigogine and published by John Wiley & Sons. This book was released on 2009-09-08 with total page 467 pages. Available in PDF, EPUB and Kindle. Book excerpt: Part of an open-ended series which helps readers obtain information on a wide variety of topics in chemical physics. Volume LVII features papers by outstanding specialists in such areas as the local mode picture, multimode molecular dynamics, Jahn-Teller trajectories, and the structure, dynamics, and dissipation in hard core molecular liquids.
Download or read book Conical Intersections written by Wolfgang Domcke and published by World Scientific. This book was released on 2004 with total page 857 pages. Available in PDF, EPUB and Kindle. Book excerpt: This invaluable book presents a systematic exposition of the current state of knowledge about conical intersections, which has been elaborated in research papers scattered throughout the chemical physics literature.
Download or read book Structure Elucidation in Organic Chemistry written by Maria-Magdalena Cid and published by John Wiley & Sons. This book was released on 2014-12-17 with total page 552 pages. Available in PDF, EPUB and Kindle. Book excerpt: Intended for advanced readers, this is a review of all relevant techniques for structure analysis in one handy volume. As such, it provides the latest knowledge on spectroscopic and related techniques for chemical structure analysis, such as NMR, optical spectroscopy, mass spectrometry and X-ray crystallography, including the scope and limitation of each method. As a result, readers not only become acquainted with the techniques, but also the advantages of the synergy between them. This enables them to choose the correct analytical method for each problem, saving both time and resources. Special emphasis is placed on NMR and its application to absolute configuration determination and the analysis of molecular interactions. Adopting a practical point of view, the author team from academia and industry guarantees both solid methodology and applications essential for structure determination, equipping experts as well as newcomers with the tools to solve any structural problem.
Download or read book Hydrocarbons Advances in Research and Application 2012 Edition written by and published by ScholarlyEditions. This book was released on 2012-12-26 with total page 279 pages. Available in PDF, EPUB and Kindle. Book excerpt: Hydrocarbons—Advances in Research and Application: 2012 Edition is a ScholarlyEditions™ eBook that delivers timely, authoritative, and comprehensive information about Hydrocarbons. The editors have built Hydrocarbons—Advances in Research and Application: 2012 Edition on the vast information databases of ScholarlyNews.™ You can expect the information about Hydrocarbons in this eBook to be deeper than what you can access anywhere else, as well as consistently reliable, authoritative, informed, and relevant. The content of Hydrocarbons—Advances in Research and Application: 2012 Edition has been produced by the world’s leading scientists, engineers, analysts, research institutions, and companies. All of the content is from peer-reviewed sources, and all of it is written, assembled, and edited by the editors at ScholarlyEditions™ and available exclusively from us. You now have a source you can cite with authority, confidence, and credibility. More information is available at http://www.ScholarlyEditions.com/.
