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Molecular Electronic Structures Of Transition Metal Complexes Ii
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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 Molecular Electronic Structures of Transition Metal Complexes by : David Michael Patrick Mingos
Download or read book Molecular Electronic Structures of Transition Metal Complexes written by David Michael Patrick Mingos and published by . This book was released on 2012 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author :David Michael P. Mingos Publisher :Springer Science & Business Media ISBN 13 :3642273696 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 2012-01-13 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 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.
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 on Demand. 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 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:
Book Synopsis Electronic and Vibronic Spectra of Transition Metal Complexes II by : Hartmut Yersin
Download or read book Electronic and Vibronic Spectra of Transition Metal Complexes II written by Hartmut Yersin and published by Springer Science & Business Media. This book was released on 1997-07-16 with total page 276 pages. Available in PDF, EPUB and Kindle. Book excerpt: The unique properties and applications of transition metal compounds have long fascinated both physicists and chemists. This volume presents theoretical and experimental studies for a deeper understanding of the electronic and vibronic properties of these compounds. In particular, an introduction into properties of spin sublevels of dd*, dÂ*, and ÂÂ* states is given, and a modern ligand field theory based on the Angular Overlap Model is presented. In experimental case studies it is shown how to characterize different types of electronic transitions using modern methods of laser spectroscopy. Consequences of spin-orbit coupling, zero-field splittings, spin-lattice relaxations, chromophore-matrix interactions, Herzberg-Teller/Franck-Condon activities, and localization/delocalization properties are treated.
Book Synopsis Spectroscopy and Electronic Structure of Transition Metal Complexes by : Dimitrios A. Pantazis
Download or read book Spectroscopy and Electronic Structure of Transition Metal Complexes written by Dimitrios A. Pantazis and published by . This book was released on 2019-11-19 with total page 500 pages. Available in PDF, EPUB and Kindle. Book excerpt: The combination of spectroscopy and theory has developed considerably in the past two decades. Computational techniques and theoretical analysis to extract electronic structure information from spectroscopy has become a crucial aspect of modern research in chemistry and materials science. This book provides a comprehensive and up-to-date resource on spectroscopic methods used in transition metal chemistry and explains the relationships between experimental techniques and electronic structure. Chapters cover topics including computational chemistry; ligand field theory; magnetochemistry; and optical, vibrational, NMR and EPR spectroscopy. Edited and written by world experts in the field, this unique volume is valuable to students of all levels and serves as a reference for researchers in physical inorganic chemistry, (bio)inorganic chemistry and spectroscopy.
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 480 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 Density and Chemical Bonding II by : Dietmar Stalke
Download or read book Electron Density and Chemical Bonding II written by Dietmar Stalke and published by Springer. This book was released on 2012-06-05 with total page 300 pages. Available in PDF, EPUB and Kindle. Book excerpt: T. Koritsanszky, A. Volkov, M. Chodkiewicz: New Directions in Pseudoatom-Based X-Ray Charge Density Analysis.- B. Dittrich, D. Jayatilaka: Reliable Measurements of Dipole Moments from Single-Crystal Diffraction Data and Assessment of an In-Crystal Enhancement.- B. Engels, Th. C. Schmidt, C. Gatti, T. Schirmeister, R.F. Fink: Challenging Problems in Charge Density Determination: Polar Bonds and Influence of the Environment.- S. Fux, M. Reiher: Electron Density in Quantum Theory.- K. Meindl, J.Henn: Residual Density Analysis.- C. Gatti: The Source Function Descriptor as a Tool to Extract Chemical Information from Theoretical and Experimental Electron Densities.
Book Synopsis Quantum Chemistry: The Challenge of Transition Metals and Coordination Chemistry by : A. Veillard
Download or read book Quantum Chemistry: The Challenge of Transition Metals and Coordination Chemistry written by A. Veillard and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 518 pages. Available in PDF, EPUB and Kindle. Book excerpt: Over the last twenty years, developments of the ab initio metho dologies and of the computing capacities have progressively turned quantum chemistry into a predictive tool for molecular systems involving only light elements. The situation appears less advanced for systems containing transition metal elements where specific difficulties arise, like those 1inked to the quasi-degeneracy of the lowest atomic states. Correlation effects, which are important only for quantitative accuracy in the treatment of molecules made of light elements, need sometimes to be considered even for a qualitative des cription of transition metals systems (like the multiple metal-metal bond). The treatment of atoms of a high atomic number has necessited the development of model potential methods. These difficulties ex acerbate for systems containing several trans ition atoms a correct description of the dichromium molecule Crz still represents a challenge to quantum chemists. Yet many advances have been made recently in the theoretical treatment of these systems, despite the fact that our understanding still remains disparate with a variety of models and methodologies used more or less successfully (one-electron models, explicitly correlated ab initio methods, density functional formalisms). For these reasons, a NATO Advanced Research Workshop was organized to review in detail the state-of-the-art techniques and at the same time the most common applications. These encompass many fields including the spectroscopy of diatomics and small aggregates, structure and reactivity problems in organometallic chemistry, the cluster surface analogy with its implications for heterogeneous catalysis and the description of extended structures.
Book Synopsis Electron Density and Chemical Bonding I by : Dietmar Stalke
Download or read book Electron Density and Chemical Bonding I written by Dietmar Stalke and published by Springer. This book was released on 2012-06-05 with total page 221 pages. Available in PDF, EPUB and Kindle. Book excerpt: D. Stalke, U. Flierler: More than Just Distances from Electron Density Studies.- A.O. Madsen: Modeling and Analysis of Hydrogen Atoms.- B.B. Iversen/J. Overgaard: Charge Density Methods in Hydrogen Bond Studies.- U. Flierler, D. Stalke: Some Main Group Chemical Perceptions in the Light of Experimental Charge Density Investigations.- D. Leusser: Electronic Structure and Chemical Properties of Lithium Organics Seen Through the Glasses of Charge Density.- L. J. Farrugia, P. Macchi: Bond Orders in Metal–Metal Interactions Through Electron Density Analysis.- W. Scherer, V. Herz, Ch. Hauf: On the Nature of β-Agostic Interactions: A Comparison Between the Molecular Orbital and Charge Density Picture.
Book Synopsis Inorganic and Organometallic Transition Metal Complexes with Biological Molecules and Living Cells by : Kenneth Kam-Wing Lo
Download or read book Inorganic and Organometallic Transition Metal Complexes with Biological Molecules and Living Cells written by Kenneth Kam-Wing Lo and published by Academic Press. This book was released on 2016-12-30 with total page 406 pages. Available in PDF, EPUB and Kindle. Book excerpt: Inorganic and Organometallic Transition Metal Complexes with Biological Molecules and Living Cells provides a complete overview of this important research area that is perfect for both newcomers and expert researchers in the field. Through concise chapters written and edited by esteemed experts, this book brings together a comprehensive treatment of the area previously only available through scattered, lengthy review articles in the literature. Advanced topics of research are covered, with particular focus on recent advances in the biological applications of transition metal complexes, including inorganic medicine, enzyme inhibitors, antiparasital agents, and biological imaging reagents. Geared toward researchers and students who seek an introductory overview of the field, as well as researchers working in advanced areas Focuses on the interactions of inorganic and organometallic transition metal complexes with biological molecules and live cells Foscuses on the fundamentals and their potential therapeutic and diagnostic applications Covers recent biological applications of transition metal complexes, such as anticancer drugs, enzyme inhibitors, bioconjugation agents, chemical biology tools, and bioimaging reagents
Book Synopsis Electronic Spectra of Transitions Metal Complexes by : Vinod Jena
Download or read book Electronic Spectra of Transitions Metal Complexes written by Vinod Jena and published by Lulu.com. This book was released on 2015-04-12 with total page 93 pages. Available in PDF, EPUB and Kindle. Book excerpt: This books will provides a conceptual parts of Electronic spectra of various transition metal complexes, which is useful for various competitive examinations.
Book Synopsis Theoretical Studies of the Electronic Structure and Bonding in Some Transition Metal Complexes of Vanadium, Chromium, Iron, Nickel and Palladium by : Douglas Jay Gordon
Download or read book Theoretical Studies of the Electronic Structure and Bonding in Some Transition Metal Complexes of Vanadium, Chromium, Iron, Nickel and Palladium written by Douglas Jay Gordon and published by . This book was released on 1981 with total page 404 pages. Available in PDF, EPUB and Kindle. Book excerpt:
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 2015-12-14 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 Transition Metals in Coordination Environments by : Ewa Broclawik
Download or read book Transition Metals in Coordination Environments written by Ewa Broclawik and published by Springer. This book was released on 2019-03-16 with total page 532 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book focuses on the electronic properties of transition metals in coordination environments. These properties are responsible for the unique and intricate activity of transition metal sites in bio- and inorganic catalysis, but also pose challenges for both theoretical and experimental studies. Written by an international group of recognized experts, the book reviews recent advances in computational modeling and discusses their interplay using experiments. It covers a broad range of topics, including advanced computational methods for transition metal systems; spectroscopic, electrochemical and catalytic properties of transition metals in coordination environments; metalloenzymes and biomimetic compounds; and spin-related phenomena. As such, the book offers an invaluable resource for all researchers and postgraduate students interested in both fundamental and application-oriented research in the field of transition metal systems.
