Fluorine chemistry is an expanding area of research that is attracting international interest, due to the impact of fluorine in drug discovery and in clinical and molecular imaging (e.g. PET, MRI). Many researchers and academics are entering this area of research, while scientists in industrial and clinical environments are also indirectly exposed to fluorine chemistry through the use of fluorinated compounds for imaging.This book provides an overview of the impact that fluorine has made in the life sciences. In the first section, the emphasis is on how fluorine substitution of amino acids, peptides, nucleobases and carbohydrates can provide invaluable information at a molecular level. The following chapters provide answers to the key questions posed on the importance of fluorine in drug discovery and clinical applications. For examples, the reader will discover how fluorine has found its place as a key element improving drug efficacy, with reference to some of the best-selling drugs on the market. Finally, a thorough review on the design, synthesis and use of 18F-radiotracers for positron emission tomography is provided, and this is complemented with a discussion on how 19F NMR has advanced molecular and clinical imaging.

Guetlich, H.A. Goodwin: Spin Crossover ? An Overall Persepctive .- A. Hauser: Ligand Field Theoretical Considerations .- H.A. Goodwin: Spin Crossover in Iron(II) Tris(diimine) and Bis(terimine) systems .- G.J. Long: Spin Crossover in Pyrazolylborate and Pyrazolylmethane Complexes .- P.J. van Koningsbruggen: Special Classes of Iron(II) Azole Spin Crossover Compounds .- H. Toftlund, J.J. McGarvey: Iron(II) Spin Crossover Systems with Multidentate Ligands .- J.A. Real, A.B. Gaspar, M.C. Munoz, P. Guetlich, V. Ksenofontov, H. Spiering: Bipyrimidine-Bridged Dinuclear Iron(II) Spin Crossover Compounds .- K.S. Murray, C.J. Kepert: Cooperativity in Spin Crossover Systems. Memory, Magnetism and Microporosity .-

The series Structure and Bonding publishes critical reviews on topics of research concerned with chemical structure and bonding. The scope of the series spans the entire Periodic Table and addresses structure and bonding issues associated with all of the elements. It also focuses attention on new and developing areas of modern structural and theoretical chemistry such as nanostructures, molecular electronics, designed molecular solids, surfaces, metal clusters and supramolecular structures. Physical and spectroscopic techniques used to determine, examine and model structures fall within the purview of Structure and Bonding to the extent that the focus is on the scientific results obtained and not on specialist information concerning the techniques themselves. Issues associated with the development of bonding models and generalizations that illuminate the reactivity pathways and rates of chemical processes are also relevant. The individual volumes in the series are thematic. The goal of each volume is to give the reader, whether at a university or in industry, a comprehensive overview of an area where new insights are emerging that are of interest to a larger scientific audience. Thus each review within the volume critically surveys one aspect of that topic and places it within the context of the volume as a whole. The most significant developments of the last 5 to 10 years should be presented using selected examples to illustrate the principles discussed. A description of the physical basis of the experimental techniques that have been used to provide the primary data may also be appropriate, if it has not been covered in detail elsewhere. The coverage need not be exhaustive in data, but should rather be conceptual, concentrating on the new principles being developed that will allow the reader, who is not a specialist in the area covered, to understand the data presented. Discussion of possible future research directions in the area is welcomed. Review articles for the individual volumes are invited by the volume editors

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 (sigma interactions) 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 (structure, 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.

"Metallomics and the Cell" provides in an authoritative and timely manner in 16 stimulating chapters, written by 37 internationally recognized experts from 9 nations, and supported by more than 3000 references, several tables, and 110 illustrations, mostly in color, a most up-to-date view of the "metallomes" which, as defined in the "omics" world, describe the entire set of biomolecules that interact with or are affected by each metal ion. The most relevant tools for visualizing metal ions in the cell and the most suitable bioinformatic tools for browsing genomes to identify metal-binding proteins are also presented. Thus, MILS-12 is of relevance for structural and systems biology, inorganic biological chemistry, genetics, medicine, diagnostics, as well as teaching, etc.

This book reviews some of the latest developments in the field of water treatment using multi-functional chitosan-based materials. It covers the production of chitosan beads and membranes from chitosan powder, as well as modification techniques for enhancing the material for commercial and industrial purposes. The book summarizes the results of experimental adsorption/desorption studies for elucidating the underlying reaction mechanism of heavy-metal removal from wastewater, presenting an advanced overview of an array of characterization techniques such as Fourier-transform infrared spectroscopy, thermogravimetric analysis, x-ray diffraction, and scanning electron microscopy. Additionally, it features a look at the development and application of specialized engineering software and image analysis for modelling the kinetics of adsorption. This book is ideal for scientists and engineers working in the broader field of environmental materials science. It is all well suited for chemists, as well as industrial and civil engineers, interested in wastewater treatment and mitigation of water pollution

After the second edition introduced first density functional theory aspects, this third edition expands on this topic and offers unique practice in molecular mechanics calculations and DFT. In addition, the tutorial with its interactive exercises has been completely revised and uses the very latest software, a full version of which is enclosed on CD, allowing readers to carry out their own initial experiments with forcefield calculations in organometal and complex chemistry.

Note: CD-ROM/DVD and other supplementary materials are not included as part of eBook file.

The fact that magnetite (Fe304) was already known in the Greek era as a peculiar mineral is indicative of the long history of transition metal oxides as useful materials. The discovery of high-temperature superconductivity in 1986 has renewed interest in transition metal oxides. High-temperature su perconductors are all cuprates. Why is it? To answer to this question, we must understand the electronic states in the cuprates. Transition metal oxides are also familiar as magnets. They might be found stuck on the door of your kitchen refrigerator. Magnetic materials are valuable not only as magnets but as electronics materials. Manganites have received special attention recently because of their extremely large magnetoresistance, an effect so large that it is called colossal magnetoresistance (CMR). What is the difference between high-temperature superconducting cuprates and CMR manganites? Elements with incomplete d shells in the periodic table are called tran sition elements. Among them, the following eight elements with the atomic numbers from 22 to 29, i. e., Ti, V, Cr, Mn, Fe, Co, Ni and Cu are the most im portant. These elements make compounds with oxygen and present a variety of properties. High-temperature superconductivity and CMR are examples. Most of the textbooks on magnetism discuss the magnetic properties of transition metal oxides. However, when one studies magnetism using tradi tional textbooks, one finds that the transport properties are not introduced in the initial stages."

Specialist Periodical Reports provide systematic and detailed review coverage of progress in the major areas of chemical research. Written by experts in their specialist fields the series creates a unique service for the active research chemist, supplying regular critical in-depth accounts of progress in particular areas of chemistry. For over 80 years the Royal Society of Chemistry and its predecessor, the Chemical Society, have been publishing reports charting developments in chemistry, which originally took the form of Annual Reports. However, by 1967 the whole spectrum of chemistry could no longer be contained within one volume and the series Specialist Periodical Reports was born. The Annual Reports themselves still existed but were divided into two, and subsequently three, volumes covering Inorganic, Organic and Physical Chemistry. For more general coverage of the highlights in chemistry they remain a 'must'. Since that time the SPR series has altered according to the fluctuating degree of activity in various fields of chemistry. Some titles have remained unchanged, while others have altered their emphasis along with their titles; some have been combined under a new name whereas others have had to be discontinued. The current list of Specialist Periodical Reports can be seen on the inside flap of this volume.

The "Advances in Inorganic Chemistry" series presents 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 area and is an indispensable reference to advanced researchers. Each volume of "Advances in Inorganic Chemistry" contains an index, and each chapter is fully referenced.
This, the 54th volume in the series continues this tradition providing comprehensive reviews by leading experts in the field with the focus on inorganic and bioinorganic reaction mechanisms.
* The latest volume in this highly successful series is dedicated to inorganic and bioinorganic reaction mechanisms
* Comprehensive reviews written by leading experts in the field

Hydrogen bonds represent type of molecular interaction that determines the structure and function of a large variety of molecular systems. The elementary dynamics of hydrogen bonds and related proton transfer reactions, both occurring in the ultra fast time domain between 10-14 and 10-11s, form a research topic of high current interest.
In this book addressing scientists and graduate students in physics, chemistry and biology, the ultra fast dynamics of hydrogen bonds and proton transfer in the condensed phase are reviewed by leading scientists, documenting the state of the art in this exciting field from the viewpoint of theory and experiment. The nonequilibrium behavior of hydrogen-bonded liquids and intramolecular hydrogen bonds as well as photo induced hydrogen and proton transfer are covered in 7 chapters, making reference to the most recent literature.

This book is devoted to the synthetic and physical chemistry of aromatic thiols and their closest derivatives, sulfides, sulfoxides, sulfones, including those substituted by various functional groups such as acyl and thioacyl, alkoxide, ester, hydroxyl and halogens. In some cases, for comparison, selenium and oxygen analogues are also detailed. The main focus of the book is on synthetic methods, both traditional and new, based on the use of transition metals as catalysts, as well as the reactivity of the compounds obtained. Its addition to the influence of conformational and electronic factors on spectral (NMR, IR, UV, NQR) and electrochemical characteristics of the compounds is presented. Finally, the book describes the application of aromatic thiols and their derivatives as drug precursors, high-tech materials, building blocks for organic synthesis, analytical reagents and additives for oils and fuels. It is a useful handbook for all those interested in organosulfur chemistry.

The book depicts comprehensive studies on thermal decomposition of Kaolinite by different physico-chemical methods carried out by various scientists in last 100 years and results of the studies conducted by author in past 33 years. It also provides a critical analysis of different views on Kaolinite-Mullite reaction series, characterization of controversial spinel phase in Kaolinite-Mullite reaction series and explanation of DTA events of Kaolinite. The book helps both researchers and students to realise the new mechanism of transformation of Kaolinite to Mullite. The new reaction processes discussed in the book also help ceramic experts to synthesize Mullite grains in commercial way for production of Mullite porcelain and Mullite refractory.

The Periodic Table of the Elements is the most widely used basis for systematic discussion of inorganic chemistry. Two experienced chemists encapsulate their knowledge and teaching experience in this succinct text, suitable for both undergraduate and post-graduate courses. Part one explains how fundamental properties of atoms determine the chemical properties of elements, and how and why these properties change in the Periodic Table. The main properties discussed include radii and energies, ionization potentials, and electron affinities. Particular emphasis is placed on unique properties of the first s, p, and d shells, on the effects of filled 3d and 4d shells on the properties of p and d elements, and on relativistic effects in the heavy elements. The overall treatment will clarify many complex concepts. Part two presents an outline of inorganic chemistry within the framework of the Periodic Table, detailing the application and relevance of the principles set out in part one.
Explains how fundamental properties of atoms determine the chemical properties of elements, and how and why these properties change in the Periodic TableThe main properties discussed include radii and energies, ionization potentials, and electron affinitiesParticular emphasis is placed on unique properties of the first s, p, and d shells, on the effects of filled 3d and 4d shells on the properties of p and d elements, and on relativistic effects in the heavy elements

This book contains the contributions of 13 well known specialists in the field of solid state chemistry who had been invited as lecturers at a 1992 NATO Advanced Study Institute in Erice, Sicily. The chapters of a more general character concern the use of the space group - subgroup relationships for the recognition of structure families, the crystal chemical formulae (which is a way of denoting simple crystal chemical information in a condensed form), the concepts of atom co-ordination, atom volume and charge transfer and the physicist's view of the bond strength in the solid which is measured by the crystal orbital overlap population. It is demonstrated for the case of ionic compounds that the bond valence method is superior to the old sum-of-radii method for the prediction of interatomic distances. Simple valence electron rules can be applied fto compounds with tetrahedral anion complexes. These rules allow one not only to make predictions on expected structural features of unknown compounds, but also to point out inconsistencies between the reported structure and composition of known compounds. Detailed accounts are presented on the crystal chemistry of the superconducting copper oxides, the sulfosalts, the metal cluster compounds, the silicates and the transition metal borides and related compounds. In the case of intermetalic compounds the intergrowth concept is found to be very useful for an "understanding" of complicated atom arrangements. At the end of each chapter there can be found problems and their solutions. This makes it possible for (advanced) undergraduates in chemistry, physics, metallurgy, materials science and mineralogy to be able to profit from a study of this book.

3.1.1 ?-Conjugated Materials ?-conjugated polymers (CPs) and oligomers are materials with an extended ?-system along the backbone. The materials possess many remarkable prop- ties, including high charge carrier mobilities, electrical conductivities (doped), electrochromism, and electroluminescence [1]. These properties have been taken advantage of in exploration of potential applications including in ch- ical sensors, light-emitting devices, and ?eld-effect transistors. Many efforts have been devoted to synthesizing new conjugated polymers and oligomers in an effort to increase their processibility, optimize the desirable properties, and explore new properties. In Fig. 3.1 are shown examples of some of the CPs that have been prepared and studied. Coupling ?-conjugated materials to metal complexes gives hybrid mate- als in which the properties of the metal complex may be coupled to those of the conjugated backbone [2]. For example, these materials could be used in energy-harvesting devices such as solar cells or polymer-based light-emitting devices,wherehighchargecarrier mobilities of theconjugatedmaterialmay be combined with either the light-absorbing or emitting metal groups, giving improved device performance [3, 4]. In addition to an electronic role, metal complexes may also be used to geometrically orient ?-conjugated materials in speci?c three-dimensional arrangments in the solid state. Careful conside- tion of theelectronicinteractionsand excitedstatesisnecessary for thedesign of functional materials of this type.

The series Topics in Heterocyclic Chemistry presents critical reviews on present and future trends in the research of heterocyclic compounds. Overall the scope is to cover topics dealing with all areas within heterocyclic chemistry, both experimental and theoretical, of interest to the general heterocyclic chemistry community. The series consists of topic related volumes edited by renowned editors with contributions of experts in the field.

The first edition of this book, published in 1994, provided an exposition of the LAPW method and its relationship with other electronic structure approaches, especially Car-Parrinello based planewave methods. Since publication of that book, the LAPW method has been transformed from a specialized method used mostly by researchers running their own home made versions, to a popular, widely used method, where most users run standard codes to investigate ma terials of interest to them. This is an exciting development because it opens the door to widespread use of first principles calculations in diverse areas of condensed matter physics and materials science. The positive impact of this on scientific progress is already becoming clear. Also as a result of this trend, the great majority of researchers using the LAPW method are no longer directly in volved in the development of LAPW codes. Nonetheless, it remains important to understand how the LAPW method works, what its limitations are, and how its parameters determine the quahty and efficiency of calculations. The scientist with an understanding of how the method works has a clear advantage. This edition is an updated and expanded treatment of the LAPW method, including descriptions of key developments in the LAPW method since 1994, such as p 1/2 local orbitals, the APW-i-LO method, LDA+U calculations and non-collinear magnetism, as well as much of the material from the first edition."

Using the spin-Hamiltonian formalism the magnetic parameters are introduced through the components of the Lambda-tensor involving only the matrix elements of the angular momentum operator. The energy levels for a variety of spins are generated and the modeling of the magnetization, the magnetic susceptibility and the heat capacity is done. Theoretical formulae necessary in performing the energy level calculations for a multi-term system are prepared with the help of the irreducible tensor operator approach. The goal of the programming lies in the fact that the entire relevant matrix elements (electron repulsion, crystal field, spin-orbit interaction, orbital-Zeeman, and spin-Zeeman operators) are evaluated in the basis set of free-atom terms. The modeling of the zero-field splitting is done at three levels of sophistication. The spin-Hamiltonian formalism offers simple formulae for the magnetic parameters by evaluating the matrix elements of the angular momentum operator in the basis set of the crystal-field terms. The magnetic functions for dn complexes are modeled for a wide range of the crystal-field strengths.

The book presents a succinct summary of methods for the synthesis and biological activities of various different-sized bioactive heterocycles using different green chemistry synthetic methodologies, like microwave, ultrasonic, water mediated, ionic liquids, etc. The book also provides an insight of how green chemistry techniques are specific to the bioactive heterocyclic compounds.

Exam Board: CCEA Level: A-level Subject: Chemistry First Teaching: September 2016 First Exam: June 2018 Reinforce students' understanding throughout their course; clear topic summaries with sample questions and answers will improve exam technique to achieve higher grades. Written by examiners and teachers, Student Guides: * Help students identify what they need to know with a concise summary of the topics examined in the AS and A-level specification * Consolidate understanding with exam tips and knowledge check questions * Provide opportunities to improve exam technique with sample graded answers to exam-style questions * Develop independent learning and research skills * Provide the content for generating individual revision notes

This volume brings together contributions by leading researchers covering a wide scope so characteristic of fluorine chemistry. It is a monograph of historical character comprising personalized accounts of progress and events in areas of particular interest.
There is also much to interest and instruct chemists from other disciplines as a good proportion of the chapters contain a considerable amount of 'hard' referenced information relating to modern organic, organoelemental and inorganic chemistry. Historians of chemistry and technology will no doubt be tempted to dip into this book, and surely whoever addresses the task of commemorating Moissan's achievement at the 150-years stage will bless us all in some measure for its existence.