Ligand field theory and its applications

Author: B. N. Figgis,Michael A. Hitchman

Publisher: Vch Verlagsgesellschaft Mbh


Category: Science

Page: 354

View: 4515

A complete, up-to-date treatment of ligand field theory and its applications Ligand Field Theory and Its Applications presents an up-to-date account of ligand field theory, the model currently used to describe the metal-ligand interactions in transition metal compounds, and the way it is used to interpret the physical properties of the complexes. It examines the traditional electrostatic crystal field model, still widely used by physicists, as well as covalent approaches such as the angular overlap model, which interprets the metal ligand interactions using parameters relating directly to chemical behavior. Written by internationally recognized experts in the field, this book provides a comparison between ligand field theory and more sophisticated treatments as well as an account of the methods used to calculate the energy levels in compounds of the transition metals. It also covers physical properties such as stereochemistry, light absorption, and magnetic behavior. An emphasis on the interpretation of experimental results broadens the book's field of interest beyond transition metal chemistry into the many other areas where these metal ions play an important role. As clear and accessible as Brian Figgis's 1966 classic Introduction to Ligand Fields, this new book provides inorganic and bioinorganic chemists as well as physical chemists, chemical physicists, and spectroscopists with a much-needed overview of the many significant changes that have taken place in ligand field theory over the past 30 years.

Magnetism and Transition Metal Complexes

Author: F. E. Mabbs,D. J. Machin

Publisher: Courier Corporation

ISBN: 0486462846

Category: Science

Page: 240

View: 1194

This text presents a detailed view of the calculation methods involved in the magnetic properties of transition metal complexes. Starting at an elementary level, it proceeds gradually through theory and calculations to offer sufficient background for original work in the field. No specialized knowledge of magnetism is assumed in the introductory chapters, which offer basic definitions and generalizations of magnetic behavior and briefly review both crystal field theory and perturbation theory. Succeeding chapters explore calculations of the magnetic properties of cubic and axially distorted complexes. Featuring the complete calculation for spin-orbit coupling and magnetic field perturbations for one d-configuration, the text also discusses derivations and results for other configurations. Other topics include the magnetism of polynuclear species, in which antiferromagnetic ordering occurs over small numbers of centers. Detailed calculations by the dipolar coupling approach are given, and the results are applied to a number of studies from the literature.

Advanced Inorganic Chemistry

Applications in Everyday Life

Author: Narayan S. Hosmane

Publisher: Academic Press

ISBN: 012801993X

Category: Science

Page: 276

View: 3958

Advanced Inorganic Chemistry: Applications in Everyday Life connects key topics on the subject with actual experiences in nature and everyday life. Differing from other foundational texts with this emphasis on applications and examples, the text uniquely begins with a focus on the shapes (geometry) dictating intermolecular forces of attractions, leading to reactivity between molecules of different shapes. From this foundation, the text explores more advanced topics, such as: Ligands and Ligand Substitution Processes with an emphasis on Square-Planar Substitution and Octahedral Substitution Reactions in Inorganic Chemistry and Transition Metal Complexes, with a particular focus on Crystal-Field and Ligand-Field Theories, Electronic States and Spectra and Organometallic, Bioinorganic Compounds, including Carboranes and Metallacarboranes and their applications in Catalysis, Medicine and Pollution Control. Throughout the book, illustrative examples bring inorganic chemistry to life. For instance, biochemists and students will be interested in how coordination chemistry between the transition metals and the ligands has a direct correlation with cyanide or carbon monoxide poisoning (strong-field Cyanide or CO ligand versus weak-field Oxygen molecule). Engaging discussion of key concepts with examples from the real world Valuable coverage from the foundations of chemical bonds and stereochemistry to advanced topics, such as organometallic, bioinorganic, carboranes and environmental chemistry Uniquely begins with a focus on the shapes (geometry) dictating intermolecular forces of attractions, leading to reactivity between molecules of different shapes

Symmetry in Bonding and Spectra

An Introduction

Author: Bodie E. Douglas,Charles A. Hollingsworth

Publisher: Academic Press

ISBN: 0323139310

Category: Science

Page: 456

View: 8947

Many courses dealing with the material in this text are called "Applications of Group Theory." Emphasizing the central role and primary importance of symmetry in the applications, Symmetry in Bonding and Spectra enables students to handle applications, particularly applications to chemical bonding and spectroscopy. It contains the essential background in vectors and matrices for the applications, along with concise reviews of simple molecular orbital theory, ligand field theory, and treatments of molecular shapes, as well as some quantum mechanics. Solved examples in the text illustrate theory and applications or introduce special points. Extensive problem sets cover the important methods and applications, with the answers in the appendix.

The Effective Crystal Field Potential

Author: J. Mulak,Z. Gajek

Publisher: Elsevier

ISBN: 9780080530710

Category: Science

Page: 316

View: 3026

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.

Group Theory and Quantum Mechanics

Author: Michael Tinkham

Publisher: Courier Corporation

ISBN: 0486131661

Category: Science

Page: 352

View: 5620

Graduate-level text develops group theory relevant to physics and chemistry and illustrates their applications to quantum mechanics, with systematic treatment of quantum theory of atoms, molecules, solids. 1964 edition.

Spin States in Biochemistry and Inorganic Chemistry

Influence on Structure and Reactivity

Author: Marcel Swart,Miquel Costas

Publisher: John Wiley & Sons

ISBN: 1118898303

Category: Science

Page: 472

View: 4412

It has long been recognized that metal spin states play a central role in the reactivity of important biomolecules, in industrial catalysis and in spin crossover compounds. As the fields of inorganic chemistry and catalysis move towards the use of cheap, non-toxic first row transition metals, it is essential to understand the important role of spin states in influencing molecular structure, bonding and reactivity. Spin States in Biochemistry and Inorganic Chemistry provides a complete picture on the importance of spin states for reactivity in biochemistry and inorganic chemistry, presenting both theoretical and experimental perspectives. The successes and pitfalls of theoretical methods such as DFT, ligand-field theory and coupled cluster theory are discussed, and these methods are applied in studies throughout the book. Important spectroscopic techniques to determine spin states in transition metal complexes and proteins are explained, and the use of NMR for the analysis of spin densities is described. Topics covered include: DFT and ab initio wavefunction approaches to spin states Experimental techniques for determining spin states Molecular discovery in spin crossover Multiple spin state scenarios in organometallic reactivity and gas phase reactions Transition-metal complexes involving redox non-innocent ligands Polynuclear iron sulfur clusters Molecular magnetism NMR analysis of spin densities This book is a valuable reference for researchers working in bioinorganic and inorganic chemistry, computational chemistry, organometallic chemistry, catalysis, spin-crossover materials, materials science, biophysics and pharmaceutical chemistry.

Introductory Group Theory

and Its Application to Molecular Structure

Author: John R. Ferraro,Joseph S. Ziomek

Publisher: Springer Science & Business Media

ISBN: 1461548217

Category: Mathematics

Page: 240

View: 7947

This volume is a consequence of a series of seminars presented by the authors at the Infrared Spectroscopy Institute, Canisius College, Buffalo, New York, over the last nine years. Many participants on an intermediate level lacked a sufficient background in mathematics and quantum mechan ics, and it became evident that a non mathematical or nearly nonmathe matical approach would be necessary. The lectures were designed to fill this need and proved very successful. As a result of the interest that was developed in this approach, it was decided to write this book. The text is intended for scientists and students with only limited theore tical background in spectroscopy, but who are sincerely interested in the interpretation of molecular spectra. The book develops the detailed selection rules for fundamentals, combinations, and overtones for molecules in several point groups. Detailed procedures used in carrying out the normal coordinate treatment for several molecules are also presented. Numerous examples from the literature illustrate the use of group theory in the in terpretation of molecular spectra and in the determination of molecular structure.

Introduction to Group Theory with Applications

Materials Science and Technology

Author: Gerald Burns

Publisher: Academic Press

ISBN: 1483191494

Category: Mathematics

Page: 446

View: 6409

Introduction to Group Theory with Applications covers the basic principles, concepts, mathematical proofs, and applications of group theory. This book is divided into 13 chapters and begins with discussions of the elementary topics related to the subject, including symmetry operations and group concepts. The succeeding chapters deal with the properties of matrix representations of finite groups, the vibrations of molecular and crystals, vibrational wave function, selection rules, and molecular approximations. These topics are followed by reviews of the basic of quantum mechanics, crystal field theory, atomic physics, hybrid functions, and molecular orbital theory. The last chapters describe the symmetry of crystal lattices, the band theory of solids, and the full rotation group. This book will be of value to undergraduate mathematics and physics students.

Condensed Matter Field Theory

Author: Alexander Altland,Ben D. Simons

Publisher: Cambridge University Press

ISBN: 113948513X

Category: Science

Page: N.A

View: 1814

Modern experimental developments in condensed matter and ultracold atom physics present formidable challenges to theorists. This book provides a pedagogical introduction to quantum field theory in many-particle physics, emphasizing the applicability of the formalism to concrete problems. This second edition contains two new chapters developing path integral approaches to classical and quantum nonequilibrium phenomena. Other chapters cover a range of topics, from the introduction of many-body techniques and functional integration, to renormalization group methods, the theory of response functions, and topology. Conceptual aspects and formal methodology are emphasized, but the discussion focuses on practical experimental applications drawn largely from condensed matter physics and neighboring fields. Extended and challenging problems with fully worked solutions provide a bridge between formal manipulations and research-oriented thinking. Aimed at elevating graduate students to a level where they can engage in independent research, this book complements graduate level courses on many-particle theory.

Group Theory for Chemists

Fundamental Theory and Applications

Author: Kieran C Molloy

Publisher: Elsevier

ISBN: 0857092413

Category: Science

Page: 232

View: 6694

The basics of group theory and its applications to themes such as the analysis of vibrational spectra and molecular orbital theory are essential knowledge for the undergraduate student of inorganic chemistry. The second edition of Group Theory for Chemists uses diagrams and problem-solving to help students test and improve their understanding, including a new section on the application of group theory to electronic spectroscopy. Part one covers the essentials of symmetry and group theory, including symmetry, point groups and representations. Part two deals with the application of group theory to vibrational spectroscopy, with chapters covering topics such as reducible representations and techniques of vibrational spectroscopy. In part three, group theory as applied to structure and bonding is considered, with chapters on the fundamentals of molecular orbital theory, octahedral complexes and ferrocene among other topics. Additionally in the second edition, part four focuses on the application of group theory to electronic spectroscopy, covering symmetry and selection rules, terms and configurations and d-d spectra. Drawing on the author’s extensive experience teaching group theory to undergraduates, Group Theory for Chemists provides a focused and comprehensive study of group theory and its applications which is invaluable to the student of chemistry as well as those in related fields seeking an introduction to the topic. Provides a focused and comprehensive study of group theory and its applications, an invaluable resource to students of chemistry as well as those in related fields seeking an introduction to the topic Presents diagrams and problem-solving exercises to help students improve their understanding, including a new section on the application of group theory to electronic spectroscopy Reviews the essentials of symmetry and group theory, including symmetry, point groups and representations and the application of group theory to vibrational spectroscopy

Inorganic Electronic Structure and Spectroscopy


Author: Edward I. Solomon,A. B. P. Lever

Publisher: Wiley-Interscience

ISBN: 9780471971245

Category: Science

Page: 752

View: 3252

-Journal of Chemical Education This newly available paperbound edition of Inorganic Electronic Structure and Spectroscopy includes all the material from the original clothbound edition published in 1999. Consisting of articles contributed by outstanding scientists from around the world, Volume I, Methodology presents the state of the art in this field, written in a style accessible to the well-read senior undergraduate, and yet still of superior value to the senior researcher. The first of a two-volume set, Volume I provides a thorough review of methodologies in transition metal spectroscopy and theoretical modeling, including: * Electron Paramagnetic Resonance Spectroscopy * IR, Raman, and Resonance Raman Spectroscopy * Newer techniques used in inorganic chemistry, such as polarized absorption spectroscopy * Luminescence spectroscopy * Laser spectroscopy, X-ray and absorption spectroscopy, and EXAFS * Three important chapters on traditional ligand field theory This work assumes a basic understanding of quantum chemistry and group theory and reflects the current state of development for many of the techniques used by practicing inorganic chemists. Although written by multiple contributors, the editors' holistic approach to the manuscript has ensured a uniform presentation.

Theory and Applications of Computational Chemistry

The First Forty Years

Author: Clifford Dykstra,Gernot Frenking,Kwang Kim,Gustavo Scuseria

Publisher: Elsevier

ISBN: 0080456243

Category: Science

Page: 1336

View: 1239

Computational chemistry is a means of applying theoretical ideas using computers and a set of techniques for investigating chemical problems within which common questions vary from molecular geometry to the physical properties of substances. Theory and Applications of Computational Chemistry: The First Forty Years is a collection of articles on the emergence of computational chemistry. It shows the enormous breadth of theoretical and computational chemistry today and establishes how theory and computation have become increasingly linked as methodologies and technologies have advanced. Written by the pioneers in the field, the book presents historical perspectives and insights into the subject, and addresses new and current methods, as well as problems and applications in theoretical and computational chemistry. Easy to read and packed with personal insights, technical and classical information, this book provides the perfect introduction for graduate students beginning research in this area. It also provides very readable and useful reviews for theoretical chemists. * Written by well-known leading experts * Combines history, personal accounts, and theory to explain much of the field of theoretical and compuational chemistry * Is the perfect introduction to the field

The Immunoassay Handbook

Theory and Applications of Ligand Binding, ELISA and Related Techniques

Author: David Wild

Publisher: Newnes

ISBN: 0080970389

Category: Science

Page: 1036

View: 9917

The fourth edition of The Immunoassay Handbook provides an excellent, thoroughly updated guide to the science, technology and applications of ELISA and other immunoassays, including a wealth of practical advice. It encompasses a wide range of methods and gives an insight into the latest developments and applications in clinical and veterinary practice and in pharmaceutical and life science research. Highly illustrated and clearly written, this award-winning reference work provides an excellent guide to this fast-growing field. Revised and extensively updated, with over 30% new material and 77 chapters, it reveals the underlying common principles and simplifies an abundance of innovation. The Immunoassay Handbook reviews a wide range of topics, now including lateral flow, microsphere multiplex assays, immunohistochemistry, practical ELISA development, assay interferences, pharmaceutical applications, qualitative immunoassays, antibody detection and lab-on-a-chip. This handbook is a must-read for all who use immunoassay as a tool, including clinicians, clinical and veterinary chemists, biochemists, food technologists, environmental scientists, and students and researchers in medicine, immunology and proteomics. It is an essential reference for the immunoassay industry. Provides an excellent revised guide to this commercially highly successful technology in diagnostics and research, from consumer home pregnancy kits to AIDS testing. is a great resource that we put a lot of effort into. The content is designed to encourage purchases of single chapters or the entire book. David Wild is a healthcare industry veteran, with experience in biotechnology, pharmaceuticals, medical devices and immunodiagnostics, which remains his passion. He worked for Amersham, Eastman-Kodak, Johnson & Johnson, and Bristol-Myers Squibb, and consulted for diagnostics and biotechnology companies. He led research and development programs, design and construction of chemical and biotechnology plants, and integration of acquired companies. Director-level positions included Research and Development, Design Engineering, Operations and Strategy, for billion dollar businesses. He retired from full-time work in 2012 to focus on his role as Editor of The Immunoassay Handbook, and advises on product development, manufacturing and marketing. Provides a unique mix of theory, practical advice and applications, with numerous examples Offers explanations of technologies under development and practical insider tips that are sometimes omitted from scientific papers Includes a comprehensive troubleshooting guide, useful for solving problems and improving assay performancee Provides valuable chapter updates, now available on

Electrons, Atoms, and Molecules in Inorganic Chemistry

A Worked Examples Approach

Author: Joseph J. Stephanos,Anthony W. Addison

Publisher: Academic Press

ISBN: 012811049X

Category: Science

Page: 762

View: 7223

Electrons, Atoms, and Molecules in Inorganic Chemistry: A Worked Examples Approach builds from fundamental units into molecules, to provide the reader with a full understanding of inorganic chemistry concepts through worked examples and full color illustrations. The book uniquely discusses failures as well as research success stories. Worked problems include a variety of types of chemical and physical data, illustrating the interdependence of issues. This text contains a bibliography providing access to important review articles and papers of relevance, as well as summaries of leading articles and reviews at the end of each chapter so interested readers can readily consult the original literature. Suitable as a professional reference for researchers in a variety of fields, as well as course use and self-study. The book offers valuable information to fill an important gap in the field. Incorporates questions and answers to assist readers in understanding a variety of problem types Includes detailed explanations and developed practical approaches for solving real chemical problems Includes a range of example levels, from classic and simple for basic concepts to complex questions for more sophisticated topics Covers the full range of topics in inorganic chemistry: electrons and wave-particle duality, electrons in atoms, chemical binding, molecular symmetry, theories of bonding, valence bond theory, VSEPR theory, orbital hybridization, molecular orbital theory, crystal field theory, ligand field theory, electronic spectroscopy, vibrational and rotational spectroscopy