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Theoretical Foundations Of Molecular Magnetism

Theoretical Foundations of Molecular Magnetism PDF
Author: Roman Boča
Publisher: Elsevier
ISBN: 9780080542713
Size: 53.85 MB
Format: PDF, ePub
Category : Science
Languages : en
Pages : 873
View: 4811

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Magnetochemistry is a highly interdisciplinary field that attracts the interest of chemists, physicists and material scientists. Although the general strategy of theoretical molecular magnetism has been in place for decades, its performance for extended systems of interacting magnetic units can be very complicated. Professor Boca's book treats the "mosaic" of the theoretical approaches currently used in the field. This book presents a review of the theoretical concepts of molecular magnetism. The first chapter of the book recapitulates the necessary mathematical background. An overview of macroscopic magnetic properties is then presented. Formulation of magnetic parameters and methods of their calculation are given, followed by a brief summary of magnetic behaviour. The core of the book deals with the temperature dependence of magnetic susceptibility for mononuclear complexes, dimers, and exchange-coupled clusters. This book will be particularly useful for those scientists and students working in the field of molecular magnetism who need to refer to a complete and systematic treatment of the mathematics of magneto-chemical theory.

Molecular Magnetism

Molecular Magnetism PDF
Author: Olivier Kahn
Publisher: Courier Dover Publications
ISBN: 0486837424
Size: 77.27 MB
Format: PDF, Mobi
Category : SCIENCE
Languages : en
Pages : 416
View: 289

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Highly regarded and historic book covers basic concepts of magnetization and magnetic susceptibility, establishes the fundamental equations of molecular magnetism, and examines molecules containing a unique magnetic center. 2019 edition.

Molecular Magnetic Materials

Molecular Magnetic Materials PDF
Author: Barbara Sieklucka
Publisher: John Wiley & Sons
ISBN: 3527339531
Size: 77.70 MB
Format: PDF
Category : Science
Languages : en
Pages : 512
View: 7223

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A comprehensive overview of this rapidly expanding interdisciplinary field of research. After a short introduction to the basics of magnetism and molecular magnetism, the text goes on to cover specific properties of molecular magnetic materials as well as their current and future applications. Design strategies for acquiring molecular magnetic materials with desired physical properties are discussed, as are such multifunctional materials as high Tc magnets, chiral and luminescent magnets, magnetic sponges as well as photo- and piezo-switching magnets. The result is an excellent resource for materials scientists, chemists, physicists and crystal engineers either entering or already working in the field.

Single Molecule Magnets

Single Molecule Magnets PDF
Author: Malgorzata Holynska
Publisher: Wiley-VCH
ISBN: 3527343210
Size: 37.47 MB
Format: PDF
Category : Science
Languages : en
Pages : 456
View: 6385

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Concise overview of synthesis and characterization of single molecule magnets Molecular magnetism is explored as an alternative to conventional solid-state magnetism as the basis for ultrahigh-density memory materials with extremely fast processing speeds. In particular single-molecule magnets (SMM) are in the focus of current research, both because of their intrinsic magnetization properties, as well as because of their potential use in molecular spintronic devices. SMMs are fascinating objects on the example of which one can explain many concepts. Single-Molecule Magnets: Molecular Architectures and Building Blocks for Spintronics starts with a general introduction to single-molecule magnets (SMM), which helps readers to understand the evolution of the field and its future. The following chapters deal with the current synthetic methods leading to SMMs, their magnetic properties and their characterization by methods such as high-field electron paramagnetic resonance, paramagnetic nuclear magnetic resonance, and magnetic circular dichroism. The book closes with an overview of radical-bridged SMMs, which have shown application potential as building blocks for high-density memories. Covers a hot topic – single-molecule magnetism is one of the fastest growing research fields in inorganic chemistry and materials science Provides researchers and newcomers to the field with a solid foundation for their further work Single-Molecule Magnets: Molecular Architectures and Building Blocks for Spintronics will appeal to inorganic chemists, materials scientists, molecular physicists, and electronics engineers interested in the rapidly growing field of study.

Molecular Magnets Recent Highlights

Molecular Magnets Recent Highlights PDF
Author: Wolfgang Linert
Publisher: Springer Science & Business Media
ISBN: 3709160189
Size: 77.83 MB
Format: PDF
Category : Science
Languages : en
Pages : 216
View: 5958

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The book deals with recent scientific highlights on molecular magnetism in Europe. Molecular magnetism is a new interdisciplinary discipline gathering together chemists and physicists, theoreticians and experimentalists. The book intends to provide the reader with documented answers to many current questions: How can chemists use soft conditions to transform molecules in light and transparent magnets. How does a molecular system can behave as a single molecule magnet. How to combine several functions in the same molecular system. How light can be used to switch molecular magnetic properties. How can molecules be used for ultimate high density information storage or in quantum computing. What kind of methods do physicists develop and use to explore these new properties of matter. What kind of concepts and calculations can be provided for theoreticians to design new objects and to better understand the field and to enlarge its exciting developments.

High Resolution Nmr Spectroscopy Understanding Molecules And Their Electronic Structures

High Resolution NMR Spectroscopy  Understanding Molecules and their Electronic Structures PDF
Author:
Publisher: Newnes
ISBN: 0444594140
Size: 35.77 MB
Format: PDF, Docs
Category : Science
Languages : en
Pages : 456
View: 6590

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The progress in nuclear magnetic resonance (NMR) spectroscopy that took place during the last several decades is observed in both experimental capabilities and theoretical approaches to study the spectral parameters. The scope of NMR spectroscopy for studying a large series of molecular problems has notably broadened. However, at the same time, it requires specialists to fully use its potentialities. This is a notorious problem and it is reflected in the current literature where this spectroscopy is typically only used in a routine way. Also, it is seldom used in several disciplines in which it could be a powerful tool to study many problems. The main aim of this book is to try to help reverse these trends. This book is divided in three parts dealing with 1) high-resolution NMR parameters; 2) methods for understanding high-resolution NMR parameters; and 3) some experimental aspects of high-resolution NMR parameters for studying molecular structures. Each part is divided into chapters written by different specialists who use different methodologies in their work. In turn, each chapter is divided into sections. Some features of the different sections are highlighted: it is expected that part of the readership will be interested only in the basic aspects of some chapters, while other readers will be interested in deepening their understanding of the subject dealt with in them. Shows how NMR parameters are useful for structure assignment as well as to obtain insight on electronic structures Emphasis on conceptual aspects Contributions by specialists who use the discussed methodologies in their everyday work

Magnetic Interactions In Molecules And Solids

Magnetic Interactions in Molecules and Solids PDF
Author: Coen de Graaf
Publisher: Springer
ISBN: 3319229516
Size: 53.49 MB
Format: PDF, ePub, Mobi
Category : Science
Languages : en
Pages : 246
View: 1178

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This textbook is the second volume in the Theoretical Chemistry and Computational Modeling series and aims to explain the theoretical basis of magnetic interactions at a level that will be useful for master students in physical, inorganic and organic chemistry. The book gives a treatment of magnetic interactions in terms of the phenomenological spin Hamiltonians that have been such powerful tools for chemistry and physics in the past half century, starting from the simple Heisenberg and Ising Hamiltonians and ending with Hamiltonians that include biquadratic, cyclic or anisotropic exchange. On the other hand, it also explains how quantum chemical methods, reaching from simple mean field methods to accurate models that include the effects of electron correlation and spin-orbit coupling, can help to understand the magnetic properties. Connecting the two perspectives is an essential aspect of the book, since it leads to a deeper understanding of the relation between physical phenomena and basic properties. It also makes clear that in many cases one can derive magnetic coupling parameters not only from experiment, but also from accurate ab initio calculations. The book starts with introducing a selection of basic concepts and tools. Throughout the book the text is interlarded with exercises, stimulating the students to not only read but also verify the assertions and perform (parts of) the derivations by themselves. In addition, each chapter ends with a number of problems that can be used to check whether the material has been understood.

Magnetic Functions Beyond The Spin Hamiltonian

Magnetic Functions Beyond the Spin Hamiltonian PDF
Author: R. Boca
Publisher: Springer Science & Business Media
ISBN: 9783540260790
Size: 48.67 MB
Format: PDF, Docs
Category : Science
Languages : en
Pages : 276
View: 4888

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Using the spin-Hamiltonian formalism, this work introduces the magnetic parameters through the components of the Lambda-tensor involving only the matrix elements of the angular momentum operator. It presents theoretical formulae necessary in performing the energy level calculations for a multi-term system.

Theoretical And Computational Inorganic Chemistry

Theoretical and Computational Inorganic Chemistry PDF
Author: Rudi van Eldik
Publisher: Academic Press
ISBN: 9780123808752
Size: 21.77 MB
Format: PDF
Category : Science
Languages : en
Pages : 536
View: 187

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The Advances in Inorganic Chemistry series present timely and informative summaries of the current progress in a variety of subject areas within inorganic chemistry, ranging from bio-inorganic to solid state studies. This acclaimed serial features reviews written by experts in the field and serves as an indispensable reference to advanced researchers. Each volume contains an index, and each chapter is fully referenced. Features comprehensive reviews on the latest developments Includes contributions from leading experts in the field Serves as an indispensable reference to advanced researchers

Epr Of Free Radicals In Solids Ii

EPR of Free Radicals in Solids II PDF
Author: Anders Lund
Publisher: Springer Science & Business Media
ISBN: 9400748876
Size: 15.68 MB
Format: PDF, Kindle
Category : Science
Languages : en
Pages : 390
View: 6781

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EPR of Free Radicals in Solids: Trends in Methods and Applications, 2nd ed. presents a critical two volume review of the methods and applications of EPR (ESR) for the study of free radical processes in solids. Emphasis is on the progress made in the developments in EPR technology, in the application of sophisticated matrix isolation techniques and in the advancement in quantitative EPR that have occurred since the 1st edition was published. Improvements have been made also at theoretical level, with the development of methods based on first principles and their application to the calculation of magnetic properties as well as in spectral simulations. EPR of Free Radicals in Solids II focuses on the trends in applications of experimental and theoretical methods to extract structural and dynamical properties of radicals and spin probes in solid matrices by continuous wave (CW) and pulsed techniques in nine chapters written by experts in the field. It examines the studies involving radiation- and photo-induced inorganic and organic radicals in inert matrices, the high-spin molecules and metal-based molecular clusters as well as the radical pro-cesses in photosynthesis. Recent advancements in environmental applications in-cluding measurements by myon resonance of radicals on surfaces and by quantitative EPR in dosimetry are outlined and the applications of optical detection in material research with much increased sensitivity reviewed. The potential use of EPR in quantum computing is considered in a newly written chapter. This new edition is aimed to experimentalists and theoreticians in research involving free radicals, as well as for students of advanced courses in physical chemis-try, chemical physics, materials science, biophysics, biochemistry and related fields.

A Handbook Of Magnetochemical Formulae

A Handbook of Magnetochemical Formulae PDF
Author: Roman Boča
Publisher: Elsevier
ISBN: 012416014X
Size: 10.39 MB
Format: PDF, ePub
Category : Science
Languages : en
Pages : 991
View: 4694

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Magnetochemistry is concerned with the study of magnetic properties in materials. It investigates the relationship between the magnetic properties of chemical compounds and their atomic and molecular structure. This rapidly growing field has a number of applications, and the measuring and interpreting of magnetic properties is often conducted by scientists who are not specialists in the field. Magnetochemistry requires complex mathematics and physics and so can be daunting for those who have not previously studied it in depth. Aimed at providing a single source of information on magnetochemistry, this book offers a comprehensive and contemporary review of the mathematical background and formula for predicting or fitting magnetic data, including a summary of the theory behind magnetochemistry to help understand the necessary calculations. Along with tables listing the key formula, there is also a model of the magnetic functions showing the effect of individual magnetic parameters. The clear structure and comprehensive coverage of all aspects of magnetochemistry will make this an essential book for advanced students and practitioners. Provides comprehensive overview of the mathematical background of magnetochemistry Uses clear and accessible language so scientists in a variety of fields can utilize the information Detailed explanations of equations and formula

Molecular Diagnostics Of Solar And Stellar Magnetic Fields

Molecular Diagnostics of Solar and Stellar Magnetic Fields PDF
Author: Nadine Afram
Publisher: Cuvillier Verlag
ISBN: 3736927630
Size: 50.50 MB
Format: PDF
Category : Science
Languages : en
Pages : 156
View: 6361

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This thesis is concerned with the development of new diagnostic tools in the field of molecular spectroscopy and spectropolarimetry for studying solar and stellar magnetism. Molecules are formed in a large variety of cool astronomical objects, ranging from comets in the solar system to galaxies at high redshifts, and exhibit high temperature, pressure, and magnetic field sensitivities. For these objects, molecular spectroscopy provides a unique tool to study their physical properties and in particular their magnetic fields. For this purpose, we establish the theoretical foundations for the analysis of molecules, which involves a general introduction to molecular spectroscopy with a particular focus on magnetic fields and polarization in a molecule. We then apply the theory to the molecules MgH, TiO, CaH, and in particular to FeH, for the study of a broad range of stellar objects, starting from our Sun and proceeding to G-K-M stars. We investigate the usability and the limitations of the various molecules as astrophysical magnetic field diagnostics, placing the main emphasis on FeH bands, which are the most sensitive indicators of magnetic fields in cool atmospheres. We present for the first time spectropolarimetric sunspot observations of the FeH F4Δ-X4Δ system. The diagnostic capabilities of this particular system for probing solar and stellar magnetic fields are investigated. It is shown that the current theory is able to successfully reproduce the magnetic properties of many lines of the FeH F4Δ-X4Δ system, but fails in the case of some highly magnetically sensitive lines. Therefore, we develop in the next step a new quantum-mechanical approach for the treatment of the Zeeman effect in the FeH F4Δ-X4Δ system, which takes into account the thus far disregarded effects of an unknown nearby perturbation. This semi-empirical model is based on the comparison of observed and calculated sunspot spectra and allows to finally use the FeH F4Δ-X4Δ system for inferring magnetic field strengths in different astrophysical objects, such as M dwarfs. On cool stars, atomic lines vanish among the dominating presence of molecular features, and thus, it is of advantage to utilize molecular lines instead. The study of M dwarfs is of special interest, because the transition from stars with an outer convection zone to fully convective stars takes place. In the latter, the solar type dynamo must be replaced by an alternative mechanism, such as a turbulent dynamo, to amplify magnetic fields. With the previous development of the FeH F4Δ-X4Δ system into a diagnostic tool, we determine magnetic fields on a sample of M stars through a comparison of synthetic and observed spectral lines, which are especially magnetically sensitive. Our study is then extended to the analysis of the usefulness of various molecules, FeH, MgH, TiO, and CaH, as diagnostics for exploring stellar magnetism on active G-K-M stars. We present the temperature range in which the selected molecules can serve as indicators for magnetic fields on highly active cool stars. In particular, the detection of circular polarization in MgH and FeH lines on M dwarfs is shown and supports the predictions of our modeling. In the next step, we utilize the successful direct modeling of MgH and TiO lines in sunspots as a starting point for inversions, i.e. the determination of the physical parameters of the sunspot atmosphere. Including both molecular and atomic lines in these preliminary inversions promises a dramatic improvement of the deduced atmosphere model. Molecular lines prove to be excellent diagnostics to provide information on solar and stellar magnetic fields. Advances in the constantly growing field of molecular spectroscopy and spectropolarimetry depend largely on the following criteria: On one hand, from a theoretical point of view, much work remains to be done for the mostly very complicated cases of the molecular Zeeman and Paschen-Back effects. On the other hand, improved observational instrumentation at the new generation of large telescopes, such as highly sensitive spectropolarimeters, are designed to measure with high precision the polarization state of the received photons and may reveal new polarization phenomena in molecules.

High Resolution Nmr Spectroscopy

High Resolution NMR Spectroscopy PDF
Author: Juha Vaara
Publisher: Elsevier Inc. Chapters
ISBN: 0128082976
Size: 10.19 MB
Format: PDF
Category : Science
Languages : en
Pages : 456
View: 5519

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The theory and quantum-chemical calculations of the spectral parameters of nuclear magnetic resonance (NMR) are well established in the case of diamagnetic, closed-shell molecules. In contrast, NMR calculations of paramagnetic, open-shell molecules (pNMR) are scarce, limited by both assumptions within the underlying theoretical background as well as the availability of computational implementations. We discuss the systematic development of pNMR theory that recently culminated in a novel, general and systematic electronic structure approach for the shielding tensor and the associated chemical shift for paramagnetic, open-shell atoms, molecules, and nonmetallic solids. The approach has now been extended for the first time to a higher than doublet spin state as well as arbitrary spatial symmetry. The approach is formulated without reference to spin susceptibility, in contrast to the contemporary experimental procedure and approximate quantum-chemical treatment of axial zero-field splitting. As a result of the systematic procedure, all the temperature-dependent hyperfine shielding terms are generalized and, for example, the leading-order nonrelativistic dipolar term now provides an isotropic chemical shift contribution for species with triplet and higher spin multiplicity. Recent first-principles quantum-chemical calculations of pNMR chemical shifts are reviewed both using the novel theory as well as earlier approaches.

Solution Nmr Of Paramagnetic Molecules

Solution NMR of Paramagnetic Molecules PDF
Author: Ivano Bertini
Publisher: Elsevier
ISBN: 9780080541488
Size: 15.86 MB
Format: PDF, Mobi
Category : Science
Languages : en
Pages : 384
View: 1557

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NMR is a growing technique which represents a generalized, spread, common tool for spectroscopy and for structural and dynamic investigation. Part of the field of competence of NMR is represented by molecules with unpaired electrons, which are called paramagnetic. The presence of unpaired electrons is at the same time a drawback (negative effect) and a precious source of information about structure and dynamics. New phenomena and effects are described which are due to the high magnetic fields and advances in the methodology. Solution NMR of Paramagnetic Molecules is unique in dealing with these matters. The scope is that of presenting a complete description, which is both rigorous and pictorial, of theory and experiments of NMR of paramagnetic molecules in solution. Pertinent examples are described. From the time dependent behaviour of electrons in the various metal ions including polimetallic systems to the hyperfine-based information, and from NMR experiments to constraints for solution structure determination. The book's major theme is how to perform high resolution NMR experiments and how to obtain structural and dynamic information on paramagnetic metal ion containing systems.

Physical Inorganic Chemistry

Physical Inorganic Chemistry PDF
Author: Andreja Bakac
Publisher: John Wiley & Sons
ISBN: 9780470602515
Size: 50.64 MB
Format: PDF, Mobi
Category : Science
Languages : en
Pages : 528
View: 6333

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Physical Inorganic Chemistry contains the fundamentals of physical inorganic chemistry, including information on reaction types, and treatments of reaction mechanisms. Additionally, the text explores complex reactions and processes in terms of energy, environment, and health. This valuable resource closely examines mechanisms, an under-discussed topic. Divided into two sections, researchers, professors, and students will find the wide range of topics, including the most cutting edge topics in chemistry, like the future of solar energy, catalysis, environmental issues, climate changes atmosphere, and human health, essential to understanding chemistry.

Molecular Magnetism Of Lanthanides Complexes And Networks

Molecular Magnetism of Lanthanides Complexes and Networks PDF
Author: Kevin Bernot
Publisher: MDPI
ISBN: 3038429872
Size: 65.81 MB
Format: PDF
Category : Science
Languages : en
Pages : 116
View: 5484

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This book is a printed edition of the Special Issue "Molecular Magnetism of Lanthanides Complexes" and Networks that was published in Magnetochemistry

Coordination Chemistry Research Progress

Coordination Chemistry Research Progress PDF
Author: Kevin S. Verley
Publisher: Nova Publishers
ISBN: 9781604560473
Size: 17.15 MB
Format: PDF, Docs
Category : Science
Languages : en
Pages : 340
View: 668

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Coordination chemistry is the study of compounds formed between metal ions and other neutral or negatively charged molecules. Coordination chemistry includes areas of inorganic solid state chemistry, organometallic chemistry and bioinorganic chemistry, as well as applications to analytical chemistry, catalysis, industrial chemistry and materials science.

Epr Of Free Radicals In Solids

EPR of Free Radicals in Solids PDF
Author: Anders Lund
Publisher: Springer Science & Business Media
ISBN: 1475751664
Size: 71.37 MB
Format: PDF
Category : Science
Languages : en
Pages : 645
View: 542

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EPR of Free Radicals in Solids: Trends in Methods and Applications presents methods and applications of modern EPR for the study of free radical processes in solids, which so far are only available in the journal literature. The first part of the book, covering trends in methods, contains experimentally oriented chapters on continuous wave and pulsed EPR techniques and special methods involving muon magnetic resonance and optical detection and theory for dynamic studies. New simulation schemes, including the influence of dynamics, are presented as well as advances in the calculation of hyperfine and electronic g-tensors. The second part of the book presents applications involving studies of radiation and photo-induced inorganic and organic radicals in inert matrices, including novel results of quantum effects in small radicals. High-spin molecules and complexes are also considered as well as radical processes in photosynthesis. Recent advances in EPR dosimetry are summarized.

The Jahn Teller Effect

The Jahn Teller Effect PDF
Author: Horst Köppel
Publisher: Springer Science & Business Media
ISBN: 9783642034329
Size: 66.51 MB
Format: PDF, ePub, Mobi
Category : Science
Languages : en
Pages : 915
View: 7368

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The Jahn-Teller effect continues to be a paradigm for structural instabilities and molecular dynamical processes. This volume provides a survey of the current Jahn-Teller interactions at the interface of quantum chemistry and condensed matter physics.

Fundamentals Of Molecular Catalysis

Fundamentals of Molecular Catalysis PDF
Author:
Publisher: Elsevier
ISBN: 9780080532134
Size: 74.95 MB
Format: PDF, Docs
Category : Technology & Engineering
Languages : en
Pages : 536
View: 1344

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Almost all contemporary organic synthesis involve transition metal complexes as catalysts or particular reagents. The aim of this book is to provide the reader with detailed accounts of elementary processes within molecular catalysis to allow its development and as an aid in designing novel catalytic systems. The book comprises authoritative reviews on elementary processes from experts working at the forefront of organometallic chemistry. · This is the first book that focuses on elementary processes in transition metal complexes for understanding catalytic mechanisms · Provides detailed description of elementary processes involved in catalytic cycles by experts in the field · Provides an overview of the mechanisms of various homogeneous catalyses