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.

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.

Electronic and Vibronic Spectra of Transition Metal Complexes II

Electronic and Vibronic Spectra of Transition Metal Complexes II
Author: Hartmut Yersin
Publisher: Springer Science & Business Media
Total Pages: 276
Release: 1997-07-16
Genre: Science
ISBN: 9783540629221

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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.

Electronic Properties of Inorganic Quasi-One-Dimensional Compounds

Electronic Properties of Inorganic Quasi-One-Dimensional Compounds
Author: P. Monceau
Publisher: Springer
Total Pages: 282
Release: 1985-03-31
Genre: Science
ISBN: 9789027718013

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The close relationship between experimentalists and theorists – whether solid state chemists or physicists – has, in the last few years, inspired much research in the field of materials with quasi one-dimensional structures. Part I of this two-volume set, reviews the basic theories describing the physical properties of one-dimensional materials including their superconducting characteristics. This description is mainly based on the properties of transition metal trichalcogenides. The novel collective transport mechanism for electronic conduction, exhibited by some of the latter compounds – NbSe3 being considered as the prototype – is surveyed according to a classical theory and a theory including macroscopic quantum effects. In addition, the book contains a description of the properties of non-linear excitations, or solitons, in one-dimensional systems. Part II of this two-volume set deals with the experimental treatment of pseudo-one-dimensional conductors. Included are contributions on platinum chains, (SN)x and (SNBry)x, the optical properties of 1-D inorganic metals, CDW transport in transition metal chalcogenides, and a lattice dynamical study of transition metal trichalcogenides.

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: Technology & Engineering
ISBN: 0191030139

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Transition metal oxides form a series of compounds with a uniquely wide range of electronic properties. They have important applications as dielectrics,semiconductors, and metals, and as materials for magnetic and optical uses. The recent discovery of `high temperature' superconductors has brought the attention of a wide scientific community to this area and has highlighted the problems involved in trying to understand transition metal oxides. The present book is not primarily about Tc superconductors, although their main properties are discussed in the final sections. The main aim is to describe the varied electronic behaviour shown by transition metal oxides, and to discuss the different types of theoretical model that have been proposed to interpret it. It is intended to provide an introduction to this fascinating and difficult field, at a level suitable for graduate students and other research workers with a background in solid- state chemistry or physics.

Spectroscopy and Electronic Structure of Transition Metal Complexes

Spectroscopy and Electronic Structure of Transition Metal Complexes
Author: Dimitrios A. Pantazis
Publisher:
Total Pages: 500
Release: 2019-11-19
Genre: Science
ISBN: 9781788014243

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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.

Experimental and Theoretical Studies on the Electronic Properties and Dissociation Reactions of Gas-phase Metal Oxide Nitrate Complexes

Experimental and Theoretical Studies on the Electronic Properties and Dissociation Reactions of Gas-phase Metal Oxide Nitrate Complexes
Author: Thomas Hester
Publisher:
Total Pages: 150
Release: 2016
Genre: Electronic dissertations
ISBN:

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This dissertation discusses dissociation studies performed on various gas-phase transition and main group metal nitrate anion complexes using a tandem mass spectrometer. The dissociation of these complexes, via consecutive loss of NO2•, results in the formation of multiple metal-oxygen bonds. The dissertation focuses primarily on the metal oxide products in an attempt to gain a better understanding of the nature of metal-oxygen bonds, with an emphasis on the assignment of oxidation states for the atoms in these species. The dissociation behavior for each system was found to be characteristic to the metal in that system. Specifically, the elimination of NO2• results in abstraction of O•− by the metal and formation of a metal-oxygen bond. The formation of this bond can result in oxidation of the metal, reduction of the metal, or show an absence of redox activity for the metal. The main group metals, such as aluminum, gallium, and the pseudo-main group metal zinc, have valences lower in energy than that of the O•− ligand and do not undergo oxidation or reduction upon metal-oxygen bond formation. The oxygen ligand retains the radical and is the reactive site in those systems, illustrated by the observed high degree of dissociation. The late transition metal, copper(II), has a low-lying 3d vacancy that allows metal reduction upon metal-oxygen bond formation. The copper(I) system, with its full 3d valence shows dissociation behavior identical to that of the main group metals. The nickel(II) cation has a nearly degenerate valence to that of the O•− ligand, resulting in dissociation similar to that of the main group metals. The dissociation patterns are similar because the O•− ligands are the primary reactive sites in the nickel system. Metal reduction can occur upon elimination of atomic and molecular oxygen from some complexes. This metal reduction occurs at relatively low energy due to the low-lying 3d vacancies for nickel. There are two instances of electron transfer that result in partial metal and partial ligand reduction, due to the near degeneracy of the valences for the nickel cation and O•− ligand. The unusual, half-integer values for the oxidation state assignments in these two cases introduce a larger unanswered question of, "What do the oxidation states tell us about these types of metal oxide systems?" Early-to-mid transition metals, such as chromium through cobalt, undergo metal oxidation upon metal-oxygen bond formation. These metals have high energy valence occupancies relative to the valence of the O•− ligand. An electron transfers from the metal 3d subshell to the 2p subshell of the oxygen ligand, reducing it to an O2− ligand. Metal reduction can occur for these systems upon elimination of atomic and molecular oxygen, but it occurs at high energy due to the high energy 3d subshell.