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Studies Into The Electronic Structure Of Transition Metal Complexes
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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.
Author :David Michael P. Mingos Publisher :Springer Science & Business Media ISBN 13 :364227370X Total Pages :227 pages Book Rating :4.6/5 (422 download)
Book Synopsis Molecular Electronic Structures of Transition Metal Complexes I by : David Michael P. Mingos
Download or read book Molecular Electronic Structures of Transition Metal Complexes I written by David Michael P. Mingos and published by Springer Science & Business Media. This book was released on 2012-01-11 with total page 227 pages. Available in PDF, EPUB and Kindle. Book excerpt: J.P. Dahl: Carl Johan Ballhausen (1926–2010).- J.R. Winkler and H.B. Gray: Electronic Structures of Oxo-Metal Ions.- C.D. Flint: Early Days in Kemisk Laboratorium IV and Later Studies.- J.H. Palmer: Transition Metal Corrole Coordination Chemistry. A Review Focusing on Electronic Structural Studies.- W.C. Trogler: Chemical Sensing with Semiconducting Metal Phthalocyanines.- K.M. Lancaster: Biological Outer-Sphere Coordination.- R.K. Hocking and E.I. Solomon: Ligand Field and Molecular Orbital Theories of Transition Metal X-ray Absorption Edge Transitions.- K.B. Møller and N.E. Henriksen: Time-resolved X-ray diffraction: The dynamics of the chemical bond.
Book Synopsis Molecular Orbitals of Transition Metal Complexes by : Yves Jean
Download or read book Molecular Orbitals of Transition Metal Complexes written by Yves Jean and published by Oxford University Press. This book was released on 2005-03-24 with total page 288 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book starts with the most elementary ideas of molecular orbital theory and leads the reader progressively to an understanding of the electronic structure, geometry and, in some cases, reactivity of transition metal complexes. The qualitative orbital approach, based on simple notions such as symmetry, overlap and electronegativity, is the focus of the presentation and a substantial part of the book is associated with the mechanics of the assembly of molecular orbital diagrams. The first chapter recalls the basis for electron counting in transition metal complexes. The main ligand fields (octahedral, square planar, tetrahedral, etc.) are studied in the second chapter and the structure of the "d block" is used to trace the relationships between the electronic structure and the geometry of the complexes. The third chapter studies the change in analysis when the ligands have pi-type interactions with the metal. All these ideas are then used in the fourth chapter to study a series of selected applications of varying complexity (e.g. structure and reactivity). The fifth chapter deals with the "isolobal analogy" which points out the resemblance between the molecular orbitals of inorganic and organic species and provides a bridge between these two subfields of chemistry. The last chapter is devoted to a presentation of basic Group Theory with applications to some of the complexes studied in the earlier chapters.
Book Synopsis Electronic Structure and Magnetism of 3d-Transition Metal Pnictides by : Kazuko Motizuki
Download or read book Electronic Structure and Magnetism of 3d-Transition Metal Pnictides written by Kazuko Motizuki and published by Springer Science & Business Media. This book was released on 2009-12-08 with total page 142 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book on the magnetic properties of 3d-transition metal compounds focuses on 3d-metal pnictides. It couples experimental data with phenomenological discussions and explores how certain behaviors can be explained based on an itinerant electron picture.
Book Synopsis Molecular Electronic Structures of Transition Metal Complexes by : Carl Johan Ballhausen
Download or read book Molecular Electronic Structures of Transition Metal Complexes written by Carl Johan Ballhausen and published by . This book was released on 1979 with total page 224 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author :David Michael P. Mingos Publisher :Springer Science & Business Media ISBN 13 :3642273785 Total Pages :247 pages Book Rating :4.6/5 (422 download)
Book Synopsis Molecular Electronic Structures of Transition Metal Complexes II by : David Michael P. Mingos
Download or read book Molecular Electronic Structures of Transition Metal Complexes II written by David Michael P. Mingos and published by Springer Science & Business Media. This book was released on 2012-01-11 with total page 247 pages. Available in PDF, EPUB and Kindle. Book excerpt: T. Ziegler: A Chronicle About the Development of Electronic Structure Theories for Transition Metal Complexes.- J. Linderberg: Orbital Models and Electronic Structure Theory.- J.S. and J.E. Avery: Sturmians and Generalized Sturmians in Quantum Theory.- B.T Sutcliffe: Chemistry as a “Manifestation of Quantum Phenomena” and the Born–Oppenheimer Approximation?- A.J. McCaffery: From Ligand Field Theory to Molecular Collision Dynamics: A Common Thread of Angular Momentum.- M. Atanasov, D. Ganyushin, K. Sivalingam and F. Neese: A Modern First-Principles View on Ligand Field Theory Through the Eyes of Correlated Multireference Wavefunctions.- R.S. Berry and B.M. Smirnov: The Phase Rule: Beyond Myopia to Understanding.
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 Electron Spin Resonance of Metal Complexes by : Teh Fu Yen
Download or read book Electron Spin Resonance of Metal Complexes written by Teh Fu Yen and published by . This book was released on 1969 with total page 224 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Transition Metals in the Synthesis of Complex Organic Molecules by : Louis S. Hegedus
Download or read book Transition Metals in the Synthesis of Complex Organic Molecules written by Louis S. Hegedus and published by University Science Books. This book was released on 1999 with total page 358 pages. Available in PDF, EPUB and Kindle. Book excerpt: This second edition offers easy access to the field of organotransition metal chemistry. The book covers the basics of transition metal chemistry, giving a practical introduction to organotransition reaction mechanisms.
Book Synopsis Spin States in Biochemistry and Inorganic Chemistry by : Marcel Swart
Download or read book Spin States in Biochemistry and Inorganic Chemistry written by Marcel Swart and published by John Wiley & Sons. This book was released on 2015-09-22 with total page 500 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
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 Optical Spectra and Chemical Bonding in Transition Metal Complexes by : Thomas Schönherr
Download or read book Optical Spectra and Chemical Bonding in Transition Metal Complexes written by Thomas Schönherr and published by Springer Science & Business Media. This book was released on 2004-09-30 with total page 332 pages. Available in PDF, EPUB and Kindle. Book excerpt: With contributions by numerous experts
Book Synopsis Physics and Chemistry of Low-Dimensional Inorganic Conductors by : C. Schlenker
Download or read book Physics and Chemistry of Low-Dimensional Inorganic Conductors written by C. Schlenker and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 477 pages. Available in PDF, EPUB and Kindle. Book excerpt: The field of low-dimensional conductors has been very active for more than twenty years. It has grown continuously and both the inorganic and organic materials have remark able properties, such as charge and spin density waves and superconductivity. The discovery of superconductivity at high temperature in copper-based quasi two-dimensional conducting oxides nearly ten years ago has further enlarged the field and stimulated new research on inorganic conductors. It was obviously impossible to cover such a broad field in a ten day Institute and it seemed pertinent to concentrate on inorganic conductors, excluding the high Tc superconducting oxides. In this context, it was highly desirable to include both physics and chemistry in the same Institute in order to tighten or in some cases to establish links between physicists and chemists. This Advanced Study Institute is the continuation of a series of similar ones which have taken place every few years since 1974. 73 participants coming from 13 countries have taken part in this School at the beautiful site of the Centre de Physique des Houches in the Mont-Blanc mountain range. The scientific programme included more than forty lectures and seminars, two poster sessions and ten short talks. Several discussion sessions were organized for the evenings, one on New Materials, one on New Topics and one on the special problem of the Fermi and Luttinger liquids. The scientific activity was kept high from the beginning to the end of the Institute.
Book Synopsis Transition Metal Compounds by : Daniel Khomskii
Download or read book Transition Metal Compounds written by Daniel Khomskii and published by Cambridge University Press. This book was released on 2014-10-23 with total page 501 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book describes all aspects of the physics of transition metal compounds, providing a comprehensive overview of this diverse class of solids. Set within a modern conceptual framework, this is an invaluable, up-to-date resource for graduate students, researchers and industrial practitioners in solid-state physics and chemistry, materials science, and inorganic chemistry.
Book Synopsis Solid State Electrochemistry by : Peter G. Bruce
Download or read book Solid State Electrochemistry written by Peter G. Bruce and published by Cambridge University Press. This book was released on 1997-06-12 with total page 364 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book describes, for the first time in a modern text, the fundamental principles on which solid state electrochemistry is based. In this sense it is in contrast to other books in the field which concentrate on a description of materials. Topics include solid (ceramic) electrolytes, glasses, polymer electrolytes, intercalation electrodes, interfaces and applications. The different nature of ionic conductivity in ceramic, glassy and polymer electrolytes is described as are the thermodynamics and kinetics of intercalation reactions. The interface between solid electrolytes and electrodes is discussed and contrasted with the more conventional liquid state electrochemistry. The text provides an essential foundation of understanding for postgraduates or others entering the field for the first time and will also be of value in advanced undergraduate courses.
Book Synopsis Transition Metal Oxides by : P.A. Cox
Download or read book Transition Metal Oxides written by P.A. Cox and published by Oxford University Press. This book was released on 2010-08-19 with total page 295 pages. Available in PDF, EPUB and Kindle. Book excerpt: Transition metal oxides form a series of compounds with a uniquely wide range of electronic properties. The main aim of this book is to describe the varied electronic behaviour shown by transition metal oxides, and to discuss the different types of theoretical models that have been proposed to interpret this behaviour.
Book Synopsis Transition Metal and Rare Earth Compounds by : Hartmut Yersin
Download or read book Transition Metal and Rare Earth Compounds written by Hartmut Yersin and published by Springer. This book was released on 2014-03-12 with total page 186 pages. Available in PDF, EPUB and Kindle. Book excerpt: There exists a large literature on the spectroscopic properties of copper(II) com- 9 pounds. This is due to the simplicity of the d electron configuration, the wide variety of stereochemistries that copper(II) compounds can adopt, and the f- xional geometric behavior that they sometimes exhibit [1]. The electronic and geometric properties of a molecule are inexorably linked and this is especially true with six-coordinate copper(II) compounds which are subject to a Jahn-T- ler effect.However,the spectral-structural correlations that are sometimes d- wn must often be viewed with caution as the information contained in a typical solution UV-Vis absorption spectrum of a copper(II) compound is limited. Meaningful spectral-structural correlations can be obtained in a related series of compounds where detailed spectroscopic data is available. In the fol- 4– lowing sections two such series are examined; the six-coordinate CuF and 6 2+ Cu(H O) ions doped as impurities in single crystal hosts.Using low tempera- 2 6 ture polarized optical spectroscopy and electron paramagnetic resonance, a very detailed picture can be drawn about the geometry of these ions in both their ground and excited electronic states. We then compare the spectrosco- cally determined structural data with that obtained from X-ray diffraction or EXAFS measurements.
