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Electron Paramagnetic Resonance of d Transition Metal Compounds

Electron Paramagnetic Resonance of d Transition Metal Compounds
Author: F.E. Mabbs
Publisher: Elsevier
Total Pages: 1347
Release: 2013-10-22
Genre: Science
ISBN: 1483291499

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Electron paramagnetic resonance (epr) spectroscopy is a sensitive and versatile method of studying paramagnets, which is finding increasing use in chemistry, biochemistry, earth and materials sciences. The technique is treated both qualitatively and quantitatively, with a progressive increase in sophistication in each succeeding chapter. Following a general introductory chapter, the first half of the book deals with single unpaired electron systems and considers both metal and ligand Zeeman, hyperfine and quadrupole interactions. The simulation of these spectra is discussed, followed by the relationship between spin-Hamiltonian parameters and models of the electronic structures of paramagnets. The second half of the book treats multiple unpaired electron systems using the same philosophy. An introduction to the epr properties of cluster compounds and of extended exchanging systems is also given. There is a chapter on linewidths and lineshapes, and an extensive appendix containing much additional information. A wide-ranging library of simulated and experimental spectra is given, as well as graphical data which should aid spectrum interpretation. Each chapter contains key references and there is a substantial subject and keyword index. This book is designed to teach epr spectroscopy to students without any previous knowledge of the technique. However, it will also be extremely useful to researchers dealing with paramagnetic d transition metals.


Calculation of NMR and EPR Parameters

Calculation of NMR and EPR Parameters
Author: Martin Kaupp
Publisher: John Wiley & Sons
Total Pages: 621
Release: 2006-03-06
Genre: Science
ISBN: 3527604960

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This is the first book to present the necessary quantum chemical methods for both resonance types in one handy volume, emphasizing the crucial interrelation between NMR and EPR parameters from a computational and theoretical point of view. Here, readers are given a broad overview of all the pertinent topics, such as basic theory, methodic considerations, benchmark results and applications for both spectroscopy methods in such fields as biochemistry, bioinorganic chemistry as well as with different substance classes, including fullerenes, zeolites and transition metal compounds. The chapters have been written by leading experts in a given area, but with a wider audience in mind. The result is the standard reference on the topic, serving as a guide to the best computational methods for any given problem, and is thus an indispensable tool for scientists using quantum chemical calculations of NMR and EPR parameters. A must-have for all chemists, physicists, biologists and materials scientists who wish to augment their research by quantum chemical calculations of magnetic resonance data, but who are not necessarily specialists in these methods or their applications. Furthermore, specialists in one of the subdomains of this wide field will be grateful to find here an overview of what lies beyond their own area of focus.


Electron Paramagnetic Resonance

Electron Paramagnetic Resonance
Author: Bruce C. Gilbert
Publisher: Royal Society of Chemistry
Total Pages: 389
Release: 2002
Genre: Medical
ISBN: 0854043152

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Reflecting the growing volume of published work in this field, researchers will find this book an invaluable source of information on current methods and applications.


Biomolecular EPR Spectroscopy

Biomolecular EPR Spectroscopy
Author: Wilfred Raymond Hagen
Publisher: CRC Press
Total Pages: 264
Release: 2008-12-22
Genre: Medical
ISBN: 1420059580

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Comprehensive, Up-to-Date Coverage of Spectroscopy Theory and its Applications to Biological SystemsAlthough a multitude of books have been published about spectroscopy, most of them only occasionally refer to biological systems and the specific problems of biomolecular EPR (bioEPR). Biomolecular EPR Spectroscopy provides a practical introduction t


Magnetic Properties of Layered Transition Metal Compounds

Magnetic Properties of Layered Transition Metal Compounds
Author: L.J. de Jongh
Publisher: Springer Science & Business Media
Total Pages: 430
Release: 2012-12-06
Genre: Science
ISBN: 9400918607

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In the last two decades low-dimensional (low-d) physics has matured into a major branch of science. Quite generally we may define a system with restricted dimensionality d as an object that is infinite only in one or two spatial directions (d = 1 and 2). Such a definition comprises isolated single chains or layers, but also fibres and thin layers (films) of varying but finite thickness. Clearly, a multitude of physical phenomena, notably in solid state physics, fall into these categories. As examples, we may mention: • Magnetic chains or layers (thin-film technology). • Metallic films (homogeneous or heterogeneous, crystalline, amorphous or microcristalline, etc.). • I-d or 2-d conductors and superconductors. • Intercalated systems. • 2-d electron gases (electrons on helium, semiconductor interfaces). • Surface layer problems (2-d melting of monolayers of noble gases on a substrate, surface problems in general). • Superfluid films of ~He or 'He. • Polymer physics. • Organic and inorganic chain conductors, superionic conductors. • I-d or 2-d molecular crystals and liquid crystals. • I-d or 2-d ferro- and antiferro electrics.


Electron Paramagnetic Resonance of Transition Metal Compounds Relevant to Alternative Fuels and Green Chemistry

Electron Paramagnetic Resonance of Transition Metal Compounds Relevant to Alternative Fuels and Green Chemistry
Author: Damon Marc Robles
Publisher:
Total Pages:
Release: 2015
Genre:
ISBN: 9781339542454

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In 2012, global energy consumption was 17.5 TW and is expected to increase 37% by the year 2040. Atmospheric carbon dioxide levels have eclipsed 400 ppm and are expected to increase to 450 ppm by 2040. The current energy distribution, which heavily favors fossil fuels, is unsustainable long term. Solar fuels, generated from the oxidation of water, present a carbon free energy source. We have studied a nickel-oxide thin film electrocatalyst for the oxidation of water by electron paramagnetic resonance spectroscopy. Despite early promising results of two distinct signals, electrochemical and EPR investigations provided no detailed information on the electronic structure of the system. We have verified that the bulk of the materiel is composed of a paramagnetic species with S = 1/2 spin state. In a second effort, the oxidations carried out by the iron containing oxygenases were explored because of the diverse array of transformations they affect. To better understand these enzymes we have studied a model Fe(IV)-oxo compound supported by a trigonal non-heme pyrolide platform by parallel mode EPR. We have confirmed that the Fe(IV) center is in the high spin, S = 2 state, similar to those found in the natural enzymes. This compound presents a new addition to a small set of synthetic Fe(IV)-oxo's that have achieved this high-spin state.


Spectral Methods in Transition Metal Complexes

Spectral Methods in Transition Metal Complexes
Author: K. Sridharan
Publisher: Elsevier
Total Pages: 201
Release: 2016-02-13
Genre: Science
ISBN: 0128096543

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Spectral Methods in Transition Metal Complexes provides a conceptual understanding on how to interpret the optical UV-vis, vibrational EPR, and NMR spectroscopy of transition metal complexes. Metal complexes have broad applications across chemistry in the areas of drug discovery, such as anticancer drugs, sensors, special materials for specific requirements, and catalysis, so a thorough knowledge in preparation and characterization of metal complexes, while niche, is critical. Accessible to both the seasoned researcher and the graduate student alike, this book provides readers with a single source of content that addresses spectral methods in transition metal complexes. Provides readers with a single reference on metal complexes and coordination compounds Contains more than 100 figures, tables, and illustrations to aid in the retention of key concepts Authored by a scientist with nearly 40 years of experience in research and instruction