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Investigation Of Structural Distortions In Some Transition Metal Compounds In Terms Of Electronic Structure Calculations
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Book Synopsis Electronic Structure and Properties of Transition Metal Compounds by : Isaac B. Bersuker
Download or read book Electronic Structure and Properties of Transition Metal Compounds written by Isaac B. Bersuker and published by John Wiley & Sons. This book was released on 2010-12-01 with total page 658 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Research in Progress written by and published by . This book was released on 1974 with total page 808 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Machine Learning in Chemistry by : Jon Paul Janet
Download or read book Machine Learning in Chemistry written by Jon Paul Janet and published by American Chemical Society. This book was released on 2020-05-28 with total page 189 pages. Available in PDF, EPUB and Kindle. Book excerpt: Recent advances in machine learning or artificial intelligence for vision and natural language processing that have enabled the development of new technologies such as personal assistants or self-driving cars have brought machine learning and artificial intelligence to the forefront of popular culture. The accumulation of these algorithmic advances along with the increasing availability of large data sets and readily available high performance computing has played an important role in bringing machine learning applications to such a wide range of disciplines. Given the emphasis in the chemical sciences on the relationship between structure and function, whether in biochemistry or in materials chemistry, adoption of machine learning by chemistsderivations where they are important
Book Synopsis Spectroscopy of Mott Insulators and Correlated Metals by : Atsushi Fujimori
Download or read book Spectroscopy of Mott Insulators and Correlated Metals written by Atsushi Fujimori and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 272 pages. Available in PDF, EPUB and Kindle. Book excerpt: Extensive studies of high-Tc cuprate superconductors have stimualted investigations into various transition-metal oxides. Mott transitions in particular provide fascinating problems and new concepts in condensed matter physics. This book is a collection of overviews by well-known, active researchers in this field. It deals with the latest developments, with particular emphasis on the theoretical, spectroscopic, and transport aspects.
Book Synopsis A Textbook of Inorganic Chemistry – Volume 1 by : Mandeep Dalal
Download or read book A Textbook of Inorganic Chemistry – Volume 1 written by Mandeep Dalal and published by Dalal Institute. This book was released on 2017-01-01 with total page 482 pages. Available in PDF, EPUB and Kindle. Book excerpt: An advanced-level textbook of inorganic chemistry for the graduate (B.Sc) and postgraduate (M.Sc) students of Indian and foreign universities. This book is a part of four volume series, entitled "A Textbook of Inorganic Chemistry – Volume I, II, III, IV". CONTENTS: Chapter 1. Stereochemistry and Bonding in Main Group Compounds: VSEPR theory; dπ -pπ bonds; Bent rule and energetic of hybridization. Chapter 2. Metal-Ligand Equilibria in Solution: Stepwise and overall formation constants and their interactions; Trends in stepwise constants; Factors affecting stability of metal complexes with reference to the nature of metal ion and ligand; Chelate effect and its thermodynamic origin; Determination of binary formation constants by pH-metry and spectrophotometry. Chapter 3. Reaction Mechanism of Transition Metal Complexes – I: Inert and labile complexes; Mechanisms for ligand replacement reactions; Formation of complexes from aquo ions; Ligand displacement reactions in octahedral complexes- acid hydrolysis, base hydrolysis; Racemization of tris chelate complexes; Electrophilic attack on ligands. Chapter 4. Reaction Mechanism of Transition Metal Complexes – II: Mechanism of ligand displacement reactions in square planar complexes; The trans effect; Theories of trans effect; Mechanism of electron transfer reactions – types; outer sphere electron transfer mechanism and inner sphere electron transfer mechanism; Electron exchange. Chapter 5. Isopoly and Heteropoly Acids and Salts: Isopoly and Heteropoly acids and salts of Mo and W: structures of isopoly and heteropoly anions. Chapter 6. Crystal Structures: Structures of some binary and ternary compounds such as fluorite, antifluorite, rutile, antirutile, crystobalite, layer lattices- CdI2, BiI3; ReO3, Mn2O3, corundum, pervoskite, Ilmenite and Calcite. Chapter 7. Metal-Ligand Bonding: Limitation of crystal field theory; Molecular orbital theory: octahedral, tetrahedral or square planar complexes; π-bonding and molecular orbital theory. Chapter 8. Electronic Spectra of Transition Metal Complexes: Spectroscopic ground states, Correlation and spin-orbit coupling in free ions for Ist series of transition metals; Orgel and Tanabe-Sugano diagrams for transition metal complexes (d1 – d9 states); Calculation of Dq, B and β parameters; Effect of distortion on the d-orbital energy levels; Structural evidence from electronic spectrum; John-Tellar effect; Spectrochemical and nephalauxetic series; Charge transfer spectra; Electronic spectra of molecular addition compounds. Chapter 9. Magantic Properties of Transition Metal Complexes: Elementary theory of magneto - chemistry; Guoy’s method for determination of magnetic susceptibility; Calculation of magnetic moments; Magnetic properties of free ions; Orbital contribution, effect of ligand-field; Application of magneto-chemistry in structure determination; Magnetic exchange coupling and spin state cross over. Chapter 10. Metal Clusters: Structure and bonding in higher boranes; Wade’s rules; Carboranes; Metal carbonyl clusters - low nuclearity carbonyl clusters; Total electron count (TEC). Chapter 11. Metal-π Complexes: Metal carbonyls: structure and bonding; Vibrational spectra of metal carbonyls for bonding and structure elucidation; Important reactions of metal carbonyls; Preparation, bonding, structure and important reactions of transition metal nitrosyl, dinitrogen and dioxygen complexes; Tertiary phosphine as ligand.
Book Synopsis Techniques in Inorganic Chemistry by : Jr., John P. Fackler
Download or read book Techniques in Inorganic Chemistry written by Jr., John P. Fackler and published by CRC Press. This book was released on 2010-07-16 with total page 228 pages. Available in PDF, EPUB and Kindle. Book excerpt: Inorganic chemistry continues to generate much current interest due to its array of applications, ranging from materials to biology and medicine. Techniques in Inorganic Chemistry assembles a collection of articles from international experts who describe modern methods used by research students and chemists for studying the properties and structure
Book Synopsis Research in progress by : United States. Army Research Office, Research Triangle Park, N.C.
Download or read book Research in progress written by United States. Army Research Office, Research Triangle Park, N.C. and published by . This book was released on 1978 with total page 156 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Energy Research Abstracts written by and published by . This book was released on 1993 with total page 420 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Two-Dimensional Transition-Metal Dichalcogenides by : Alexander V. Kolobov
Download or read book Two-Dimensional Transition-Metal Dichalcogenides written by Alexander V. Kolobov and published by Springer. This book was released on 2016-07-26 with total page 545 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book summarizes the current status of theoretical and experimental progress in 2 dimensional graphene-like monolayers and few-layers of transition metal dichalcogenides (TMDCs). Semiconducting monolayer TMDCs, due to the presence of a direct gap, significantly extend the potential of low-dimensional nanomaterials for applications in nanoelectronics and nano-optoelectronics as well as flexible nano-electronics with unprecedented possibilities to control the gap by external stimuli. Strong quantum confinement results in extremely high exciton binding energies which forms an interesting platform for both fundamental studies and device applications. Breaking of spatial inversion symmetry in monolayers results in strong spin-valley coupling potentially leading to their use in valleytronics. Starting with the basic chemistry of transition metals, the reader is introduced to the rich field of transition metal dichalcogenides. After a chapter on three dimensional crystals and a description of top-down and bottom-up fabrication methods of few-layer and single layer structures, the fascinating world of two-dimensional TMDCs structures is presented with their unique atomic, electronic, and magnetic properties. The book covers in detail particular features associated with decreased dimensionality such as stability and phase-transitions in monolayers, the appearance of a direct gap, large binding energy of 2D excitons and trions and their dynamics, Raman scattering associated with decreased dimensionality, extraordinarily strong light-matter interaction, layer-dependent photoluminescence properties, new physics associated with the destruction of the spatial inversion symmetry of the bulk phase, spin-orbit and spin-valley couplings. The book concludes with chapters on engineered heterostructures and device applications such as a monolayer MoS2 transistor. Considering the explosive interest in physics and applications of two-dimensional materials, this book is a valuable source of information for material scientists and engineers working in the field as well as for the graduate students majoring in materials science.
Download or read book Nuclear Science Abstracts written by and published by . This book was released on 1976 with total page 1288 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Journal of Research of the National Bureau of Standards by : United States. National Bureau of Standards
Download or read book Journal of Research of the National Bureau of Standards written by United States. National Bureau of Standards and published by . This book was released on 1970 with total page 890 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Orbital Interactions in Chemistry by : Thomas A. Albright
Download or read book Orbital Interactions in Chemistry written by Thomas A. Albright and published by John Wiley & Sons. This book was released on 2013-04-08 with total page 853 pages. Available in PDF, EPUB and Kindle. Book excerpt: Explains the underlying structure that unites all disciplinesin chemistry Now in its second edition, this book explores organic,organometallic, inorganic, solid state, and materials chemistry,demonstrating how common molecular orbital situations arisethroughout the whole chemical spectrum. The authors explore therelationships that enable readers to grasp the theory thatunderlies and connects traditional fields of study withinchemistry, thereby providing a conceptual framework with which tothink about chemical structure and reactivity problems. Orbital Interactions in Chemistry begins by developingmodels and reviewing molecular orbital theory. Next, the bookexplores orbitals in the organic-main group as well as in solids.Lastly, the book examines orbital interaction patterns that occurin inorganic-organometallic fields as well as clusterchemistry, surface chemistry, and magnetism in solids. This Second Edition has been thoroughly revised andupdated with new discoveries and computational tools since thepublication of the first edition more than twenty-five years ago.Among the new content, readers will find: * Two new chapters dedicated to surface science and magneticproperties * Additional examples of quantum calculations, focusing oninorganic and organometallic chemistry * Expanded treatment of group theory * New results from photoelectron spectroscopy Each section ends with a set of problems, enabling readers totest their grasp of new concepts as they progress through the text.Solutions are available on the book's ftp site. Orbital Interactions in Chemistry is written for bothresearchers and students in organic, inorganic, solid state,materials, and computational chemistry. All readers will discoverthe underlying structure that unites all disciplines inchemistry.
Book Synopsis Organometallic Chemistry by : E W Abel
Download or read book Organometallic Chemistry written by E W Abel and published by Royal Society of Chemistry. This book was released on 2007-10-31 with total page 498 pages. Available in PDF, EPUB and Kindle. Book excerpt: Organometallic chemistry is an interdisciplinary science which continues to grow at a rapid pace. Although there is continued interest in synthetic and structural studies the last decade has seen a growing interest in the potential of organometallic chemistry to provide answers to problems in catalysis synthetic organic chemistry and also in the development of new materials. This Specialist Periodical Report aims to reflect these current interests reviewing progress in theoretical organometallic chemistry, main group chemistry, the lanthanides and all aspects of transition metal chemistry. Specialist Periodical Reports provide systematic and detailed review coverage of progress in the major areas of chemical research. Written by experts in their specialist fields the series creates a unique service for the active research chemist, supplying regular critical in-depth accounts of progress in particular areas of chemistry. For over 80 years the Royal Society of Chemistry and its predecessor, the Chemical Society, have been publishing reports charting developments in chemistry, which originally took the form of Annual Reports. However, by 1967 the whole spectrum of chemistry could no longer be contained within one volume and the series Specialist Periodical Reports was born. The Annual Reports themselves still existed but were divided into two, and subsequently three, volumes covering Inorganic, Organic and Physical Chemistry. For more general coverage of the highlights in chemistry they remain a 'must'. Since that time the SPR series has altered according to the fluctuating degree of activity in various fields of chemistry. Some titles have remained unchanged, while others have altered their emphasis along with their titles; some have been combined under a new name whereas others have had to be discontinued. The current list of Specialist Periodical Reports can be seen on the inside flap of this volume.
Book Synopsis Structural Phase Transitions in Layered Transition Metal Compounds by : K. Motizuki
Download or read book Structural Phase Transitions in Layered Transition Metal Compounds written by K. Motizuki and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 309 pages. Available in PDF, EPUB and Kindle. Book excerpt: The structural phase transition is one of the most fundamental problems in solid state physics. Layered transition-metal dichalcogenides provide us with a most exciting area for the study of structural phase transitions that are associated with the charge density wave (CDW). A large variety of structural phase transitions, such as commensurate and incommensurate transitions, and the physical proper ties related to the formation of a CDW, have been an object of intense study made for many years by methods employing modem microscopic techniques. Rather recently, efforts have been devoted to the theoretical understanding of these experimental results. Thus, McMillan, for example, has developed an elegant phenomenological theory on the basis of the Landau free energy expansion. An extension of McMillan's theory has provided a successful understanding of the successive phase transitions observed in the IT- and 2H-compounds. In addition, a microscopic theory of lattice instability, lattice dynamics, and lattice distortion in the CDW state of the transition-metal dichalcogenides has been developed based on their electronic structures. As a result, the driving force of the CDW formation in the IT- and 2H-compounds has become clear. Furthermore, the effect of lattice fluctuations on the CDW transition and on the anomalous behavior of various physical properties has been made clear microscopically.
Book Synopsis Coordination Chemistry of Macrocyclic Compounds by : Gordon Melson
Download or read book Coordination Chemistry of Macrocyclic Compounds written by Gordon Melson and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 676 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemists have been aware of the existence of coordination compounds con taining organic macrocyclic ligands since the first part of this century ; however, only during the past few years have they expanded research into the chemistry of these compounds. The expansion was initiated in the early 1960s by the synthesis and characterization of compounds containing some new macrocyclic ligands. The synthesis of compounds which may serve as model systems for some natural products containing large rings as ligands provided the main goal for the early expansion of research effort; indeed, a recurrent theme behind much of the reported chemistry has been the analogy between synthetic macrocyclic compounds and many natural-product systems. More recently, the emphases of reported research have ranged over the whole spectrum of chemistry, and the number of publications that discuss macrocyclic chemistry has increased at a dramatic rate. The completed research has been reported in a variety of journals throughout the world but there has been no previous attempt to bring the major developments together under one cover. This book, therefore, attempts to satisfy the need for a single source in which there is both a collection and a correlation of information concerning the coordination chemistry of macrocyclic compounds. The chapters in this book discuss various aspects of macrocyclic chemistry, and while these chapters as a whole constitute an in-depth survey of the state-of the-art of the field, each chapter is written as a complete unit.
Book Synopsis Metal Sites in Proteins and Models by : H.A.O. Hill
Download or read book Metal Sites in Proteins and Models written by H.A.O. Hill and published by Springer Science & Business Media. This book was released on 1999-04-01 with total page 222 pages. Available in PDF, EPUB and Kindle. Book excerpt: Biological chemistry is a major frontier of inorganic chemistry. Three special volumes devoted to Metal Sites in Proteins and Models address the questions: how unusual ("entatic") are metal sites in metalloproteins and metalloenzymes compared to those in small coordination complexes? and if they are special, how do polypeptide chains and co-factors control this? The chapters deal with iron, with metal centres acting as Lewis acids, metals in phosphate enzymes, with vanadium, and with the wide variety of transition metal ions which act as redox centres. They illustrate in particular how the combined armoury of genetics and structure determination at the molecular level are providing unprecedented new tools for molecular engineering.
Book Synopsis Theoretical Geochemistry by : John A. Tossell
Download or read book Theoretical Geochemistry written by John A. Tossell and published by Oxford University Press. This book was released on 1992-03-19 with total page 529 pages. Available in PDF, EPUB and Kindle. Book excerpt: This work is based on the observation that further major advances in geochemistry, particularly in understanding the rules that govern the ways in which elements come together to form minerals and rocks, will require the application of the theories of quantum mechanics. The book therefore outlines this theoretical background and discusses the models used to describe bonding in geochemical systems. It is the first book to describe and critically review the application of quantum mechanical theories to minerals and geochemical systems. The book consolidates valuable findings from chemistry and materials science as well as mineralogy and geochemistry, and the presentation has relevance to professionals in a wide range of disciplines. Experimental techniques are surveyed, but the emphasis is on applying theoretical tools to various groups of minerals: the oxides, silicates, carbonates, borates, and sulfides. Other topics dealt with in depth include structure, stereochemistry, bond strengths and stabilities of minerals, various physical properties, and the overall geochemical distribution of the elements.
