Download or read book Symmetry and Topology in Chemical Reactivity written by Pieter E. Schipper and published by World Scientific. This book was released on 1994 with total page 292 pages. Available in PDF, EPUB and Kindle. Book excerpt: This well-illustrated book develops, using only the ideas of basic quantum chemistry (e.g. perturbation and symmetry theory), a fundamental conceptual and theoretical framework for chemical reactivity. By feeding the role of symmetry and chemical group topology directly into the development, the analysis generates and explains the successful features of simpler reactivity theories (e.g. frontier orbital theory, the isolobal concept, PMO theory, the Woodward-Hoffmann rules), as well as defines their limitations. The unifying construct is that of a group-resolved correlation diagram, which is shown to represent the formal quantization of the electron arrow, replacing the concept of classical point electrons moving between groups with the concept of quantum electron matter waves which evolve with the evolving nuclear and chemical group structure. The use of the concept of chemical groups (functional group system, substituents, solvents) is central to the development, localising the evolutionary electrons within the functional groups and leading to an isolation and analytic definition of substituent and solvent (catalytic) effects as explicit functions of the reaction coordinate. Each archetypical reaction family is represented by fully-worked examples: viz. aliphatic nucleophilic substitution, aromatic electrophilic substitution, inorganic rearrangements, electrocyclic additions, Diels-Alder additions and addition stages in chiral reactions.
Download or read book Symmetry Rules for Chemical Reactions written by Ralph G. Pearson and published by John Wiley & Sons Incorporated. This book was released on 1976 with total page 548 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Symmetry for Chemical Reactions written by Ralph G. Pearson and published by . This book was released on 1976 with total page 548 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Chemical Topology written by D Bonchev and published by CRC Press. This book was released on 1999-04-23 with total page 354 pages. Available in PDF, EPUB and Kindle. Book excerpt: Topology is becoming increasingly important in chemistry because of its rapidly growing number of applications. Here, its many uses are reviewed and the authors anticipate what future developments might bring. This work shows how significant new insights can be gained by representing molecular species as topological structures known as topographs. The text explores carbon structures, establishing how the stability of fullerene species can be accounted for and also predicting which fullerenes will be most stable. It is pointed out that molecular topology, rather than molecular geometry, characterizes molecular shape and various tools for shape characterization are described. Several of the fascinating ideas that arise from regarding topology as a unifying principle in chemical bonding theory are discussed, and in particular, the novel concept of the molecular topoid is shown to have numerous uses. The topological description of polymers is examined and the reader is gently guided through the realms of branched and tangled polymers. Overall, this work outlines the fact that topology is not only a theoretical discipline but also one that has practical applications and high relevance to the whole domain of chemistry.
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 Graph Theoretical Approaches to Chemical Reactivity written by Danail D. Bonchev and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 291 pages. Available in PDF, EPUB and Kindle. Book excerpt: The progress in computer technology during the last 10-15 years has enabled the performance of ever more precise quantum mechanical calculations related to structure and interactions of chemical compounds. However, the qualitative models relating electronic structure to molecular geometry have not progressed at the same pace. There is a continuing need in chemistry for simple concepts and qualitatively clear pictures that are also quantitatively comparable to ab initio quantum chemical calculations. Topological methods and, more specifically, graph theory as a fixed-point topology, provide in principle a chance to fill this gap. With its more than 100 years of applications to chemistry, graph theory has proven to be of vital importance as the most natural language of chemistry. The explosive development of chemical graph theory during the last 20 years has increasingly overlapped with quantum chemistry. Besides contributing to the solution of various problems in theoretical chemistry, this development indicates that topology is an underlying principle that explains the success of quantum mechanics and goes beyond it, thus promising to bear more fruit in the future.
Download or read book Symmetry Group Theory and Mathematical Treatment in Chemistry written by Takashiro Akitsu and published by BoD – Books on Demand. This book was released on 2018-07-18 with total page 188 pages. Available in PDF, EPUB and Kindle. Book excerpt: The aim of this book Symmetry (Group Theory) and Mathematical Treatment in Chemistry is to be a graduate school-level text about introducing recent research examples associated with symmetry (group theory) and mathematical treatment in inorganic or organic chemistry, physical chemistry or chemical physics, and theoretical chemistry. Chapters contained can be classified into mini-review, tutorial review, or original research chapters of mathematical treatment in chemistry with brief explanation of related mathematical theories. Keywords are symmetry, group theory, crystallography, solid state, topology, molecular structure, electronic state, quantum chemistry, theoretical chemistry, and DFT calculations.
Download or read book Chemical Applications of Symmetry and Group Theory written by Rakshit Ameta and published by CRC Press. This book was released on 2016-11-03 with total page 392 pages. Available in PDF, EPUB and Kindle. Book excerpt: As the structure and behavior of molecules and crystals depend on their different symmetries, group theory becomes an essential tool in many important areas of chemistry. It is a quite powerful theoretical tool to predict many basic as well as some characteristic properties of molecules. Whereas quantum mechanics provide solutions of some chemical problems on the basis of complicated mathematics, group theory puts forward these solutions in a very simplified and fascinating manner. Group theory has been successfully applied to many chemical problems. Students and teachers of chemical sciences have an invisible fear from this subject due to the difficulty with the mathematical jugglery. An active sixth dimension is required to understand the concept as well as to apply it to solve the problems of chemistry. This book avoids mathematical complications and presents group theory so that it is accessible to students as well as faculty and researchers. Chemical Applications of Symmetry and Group Theory discusses different applications to chemical problems with suitable examples. The book develops the concept of symmetry and group theory, representation of group, its applications to I.R. and Raman spectroscopy, U.V spectroscopy, bonding theories like molecular orbital theory, ligand field theory, hybridization, and more. Figures are included so that reader can visualize the symmetry, symmetry elements, and operations.
Download or read book Chemical Topology written by Danail Bonchev and published by CRC Press. This book was released on 2000-07-06 with total page 392 pages. Available in PDF, EPUB and Kindle. Book excerpt: Topology has been extensively applied in the study of chemically linked and knotted structures, and also in the study of many biologically significant molecules such as proteins and DNA. These are the themes that are addressed in this volume of the Mathematical Chemistry series. The topological chirality of knotted and linked molecular species and the invariants that may characterize them are explored in detail.
Download or read book When Topology Meets Chemistry written by Erica Flapan and published by Cambridge University Press. This book was released on 2000-07-31 with total page 258 pages. Available in PDF, EPUB and Kindle. Book excerpt: The applications of topological techniques for understanding molecular structures have become increasingly important over the past thirty years. In this topology text, the reader will learn about knot theory, 3-dimensional manifolds, and the topology of embedded graphs, while learning the role these play in understanding molecular structures. Most of the results that are described in the text are motivated by questions asked by chemists or molecular biologists, though the results themselves often go beyond answering the original question asked. There is no specific mathematical or chemical prerequisite; all the relevant background is provided. The text is enhanced by nearly 200 illustrations and more than 100 exercises. Reading this fascinating book, undergraduate mathematics students can escape the world of pure abstract theory and enter that of real molecules, while chemists and biologists will find simple, clear but rigorous definitions of mathematical concepts they handle intuitively in their work.
Download or read book A Graph Theoretical and Topological Approach to Chemical Structure Reactivity and Dynamics written by R. B. King and published by . This book was released on 1988 with total page 28 pages. Available in PDF, EPUB and Kindle. Book excerpt: This report summarizes work done by the mathematical chemistry group at the University of Georgia during the period 1984-1988 on applications of graph theory, topology, and group theory to problems in the areas of chemical structure, chemical reactivity, and chemical dynamics. Applications of these theoretical methods to superconductivity, surface science, fuel design, medicine, and environmental technology have been identified. A list of 108 publications arising from this project has been appended. Keywords: Metal clusters, Superconductors, Polyhedra, Symmetry, Molecular connectivity, Fractals, Recurrence relations. (AW).
Download or read book Chemical Applications of Topology and Graph Theory written by R. Bruce King and published by Elsevier Publishing Company. This book was released on 1983 with total page 516 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Molecular Symmetry and Group Theory written by R. C. Maurya and published by Walter de Gruyter GmbH & Co KG. This book was released on 2019-09-02 with total page 478 pages. Available in PDF, EPUB and Kindle. Book excerpt: The mathematical fundamentals of molecular symmetry and group theory are comprehensibly described in this book. Applications are given in context of electronic and vibrational spectroscopy as well as chemical reactions following orbital symmetry rules. Exercises and examples compile and deepen the content in a lucid manner.
Download or read book Distance Symmetry and Topology in Carbon Nanomaterials written by Ali Reza Ashrafi and published by Springer. This book was released on 2016-08-16 with total page 481 pages. Available in PDF, EPUB and Kindle. Book excerpt: This contributed volume is inspired by the seminal discovery and identification of C60. Starting with a comprehensive discussion featuring graphene based nanostructures, subsequent chapters include topological descriptions of matrices, polynomials and indices, and an extended analysis of the symmetry and topology of nanostructures. Carbon allotropes such as diamond and its connection to higher-dimensional spaces is explored along with important mathematical and topological considerations. Further topics covered include spontaneous symmetry breaking in graphene, polyhedral carbon structures, nanotube junction energetics, and cyclic polyines as relatives of nanotubes and fullerenes. This book is aimed at researchers active in the study of carbon materials science and technology.
Download or read book Symmetry Through the Eyes of a Chemist written by István Hargittai and published by . This book was released on 1986 with total page 480 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book An Ordering Concept on the Basis of Alternative Principles in Chemistry written by Paul Heimbach and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 227 pages. Available in PDF, EPUB and Kindle. Book excerpt: Considering aspects of symmetry rules in chemistry, one is faced with con tradictory terms as for example, "90 % concertedness" sometimes being used in literature. To accept conservation of orbital symmetry to be as controlled as inversion by alternative principles seems far more promising. The intention of this book is aimed at introducing a qualitative understanding of phase rela tions in electromagnetic interactions. Avoiding one-sided dogmatism we tried to demonstrate the importance of alternative principles as guidelines to the evolution of alternative order in chemical systems. Passing through the jungle of information it became extremly important to control again and again our insights into the ordering phenomena by experi ments under conditions as coherent as possible. We became more aware of the fact that chemistry - the science of "becoming" in complex systems - can not be understood by mechanistic details, i. e. THROUGHPUT-studies alone, because the mechanism is only true for the special system under inves tigation and does not offer a tool for the evolution of opposite order. We had to accept chemistry as a mediator between molecular physics and general epistemology. This quite unusual combination was directed by excel lent teachers and the realizations were made possible by enthusiastic, open minded coworkers (see references). The next target we will strive for on this journey will be to quantify the alternative principles, that means obtaining the order parameters of H. Haken (e. g. in asymmetric synthesis).
Download or read book Making And Breaking Symmetry In Chemistry Syntheses Mechanisms And Molecular Rearrangements written by Michael James Mcglinchey and published by World Scientific. This book was released on 2022-03-09 with total page 293 pages. Available in PDF, EPUB and Kindle. Book excerpt: The elucidation of reaction mechanisms generally requires the carefully designed control of molecular symmetry to distinguish between the many possible reaction pathways. Making and Breaking Symmetry in Chemistry emphasises the crucial role played by symmetry in modern synthetic chemistry. After discussion of a number of famous classical experiments, the advances brought about by the introduction of new techniques, in particular NMR spectroscopy, are exemplified in numerous cases taken from the recent literature. Experimental verification of many of the predictions made in Woodward and Hoffmann's explication of the Conservation of Orbital Symmetry are described. Applications that involve the breaking of molecular symmetry to resolve these and other mechanistic problems in organic, inorganic and organometallic chemistry are presented in the first sections of the book, together with many examples of the detection of hitherto hidden rearrangement processes.Subsequently, under the aegis of making molecular symmetry, examples of the preparation of highly symmetrical molecules found in the organic, organometallic or inorganic domains are discussed. These include Platonic hydrocarbons or boranes, tetrahedranes, cubanes, prismanes, dodecahedrane, fullerene fragments such as corannulene, sumanene or semibuckminsterfullerene, and other systems of unusual geometries or bonding characteristics (Möbius strips, molecular brakes and gears, Chauvin's carbomers, Fitjer's rotanes, persubstituted rings, metal-metal multiple bonds, etc.). The text also contains vignettes of many of the scientists who made these major advances, as well as short sections that briefly summarise key features of important topics that underpin the more descriptive material. These include some aspects of chirality, NMR spectroscopy, and the use of isotopic substitution to break molecular symmetry. A brief appendix on point group symmetry and nomenclature is also helpfully provided.
