Electronic Structure and Properties of Transition Metal Compounds

Electronic Structure and Properties of Transition Metal Compounds
Author: Isaac B. Bersuker
Publisher: John Wiley & Sons
Total Pages: 658
Release: 2010-12-01
Genre: Science
ISBN: 0470920858

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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.

Electronic Structure, Correlation Effects and Physical Properties of D- and F-metals and Their Compounds

Electronic Structure, Correlation Effects and Physical Properties of D- and F-metals and Their Compounds
Author: Valentin Yu Irkhin
Publisher: Cambridge Int Science Publishing
Total Pages: 464
Release: 2007
Genre: Science
ISBN: 190460255X

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The book includes all main physical properties of d- and f-transition-metal systems and corresponding theoretical concepts. Special attention is paid to the theory of magnetism and transport phenomena. Some examples of non-traditional questions which are treated in detail in the book: the influence of density of states singularities on electron properties; many-electron description of strong itinerant magnetism; mechanisms of magnetic anisotropy; microscopic theory of anomalous transport phenomena in ferromagnets. Besides considering classical problems of solid state physics as applied to transition metals, modern developments in the theory of correlation effects in d- and f-compounds are considered within many-electron models. The book contains, where possible, a simple physical discussion. More difficult questions are considered in Appendices.

Transition Metal Oxides

Transition Metal Oxides
Author: P.A. Cox
Publisher: Oxford University Press
Total Pages: 295
Release: 2010-08-19
Genre: Science
ISBN: 0199588945

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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.

Molecular Electronic Structures of Transition Metal Complexes II

Molecular Electronic Structures of Transition Metal Complexes II
Author: David Michael P. Mingos
Publisher: Springer Science & Business Media
Total Pages: 247
Release: 2012-01-11
Genre: Science
ISBN: 3642273785

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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.

Molecular Electronic Structures of Transition Metal Complexes I

Molecular Electronic Structures of Transition Metal Complexes I
Author: David Michael P. Mingos
Publisher: Springer Science & Business Media
Total Pages: 227
Release: 2012-01-13
Genre: Science
ISBN: 3642273696

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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.

Molecular Orbitals of Transition Metal Complexes

Molecular Orbitals of Transition Metal Complexes
Author: Yves Jean
Publisher: Oxford University Press
Total Pages: 288
Release: 2005-03-24
Genre: Science
ISBN: 0198530935

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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.

Transition Metals in Coordination Environments

Transition Metals in Coordination Environments
Author: Ewa Broclawik
Publisher: Springer
Total Pages: 532
Release: 2019-03-16
Genre: Science
ISBN: 3030117146

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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.