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.
Readership: research scientists at universities or in industry, graduate students
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A Zahigkeitscharakterisierung mit Hilfe bruchmechanischer Konzepte.- A 1 Stand und Entwicklungstendenzen.- Neue Entwicklungen bei der bruchmechanischen Zahigkeitsbewertung von Kunststoffen und Verbunden.- JTJ-Konzept und dissipative Energien am Riss.- A 2 Experimentelle Methoden.- Bruchmechanische Messmethoden fur Polymere.- Einfluss von Prufkoerpergeometrie und Beanspruchungsbedingungen auf das Risswiderstandsverhalten von PVC und PP.- Prozedur zur Ermittlung des Risswiderstandsverhaltens mit dem instrumentierten Kerbschlagbiegeversuch.- Experimentelle Methoden zur Charakterisierung des Bruchverhaltens von HDPE-Rohren.- Die mechanische Charakterisierung von Polymeren und verstarkten Polymeren - Experimentelle Probleme und theoretische Hintergrunde.- A 3 Alternative Methoden.- Approximative Methoden zur Beschreibung des Risswiderstandsverhaltens im instrumentierten Kerbschlagbiegeversuch.- Anwendung der Normalisierungsmethode zur Ermittlung von Risswiderstandskurven an amorphen PVC-Werkstoffen.- Berechnung von J-R-Kurven aus Kraft-Durchbiegungs-Diagrammen auf Basis des Gelenkprutkoerpers.- J-TJ- und ?-T?-Stabilitatsdiagramme als Grundlage einer alternativen Methode zur Ermittlung von Instabilitatswerten aus Risswiderstandskurven.- B Morphologie-Eigenschafts-Korrelationen.- B 1 Homopolymerisate.- UEbermolekulare Struktur und mechanische Eigenschaften von isotaktischem Polypropylen.- Bruchverhalten und Morphologie von HDPE-Werkstoffen.- Zahigkeits- und Relaxationsverhalten von PMMA, PS und PC.- Crazing in amorphen Polymeren - Entstehung und Wachstum fibrillarer Crazes in der Nahe der Glasubergangstemperatur.- Einfluss der Temperatur und der Feuchtigkeit auf das Zahigkeitsverhalten von Polyamid.- B 2 Blends.- Zusammenhang zwischen Bruchverhalten und Morphologie von PE/PP-Blends.- Einfluss von Modifikatorkonzentration und Pruftemperatur auf das Zahigkeitsverhalten von modifizierten Polyamiden.- Morphologie und Zahigkeit von PP/EPR-Blends.- B 3 Copolymerisate.- Anwendung bruchmechanischer Werkstoffkenngroessen zur Optimierung des Zahigkeitsverhaltens von polymeren Mehrphasensystemen mit PP-Matrix.- Bruchmechanische Zahigkeitsbewertung des Rissinitiierungs-und Rissausbreitungsverhaltens von Ethylen-Propylen-Random-Copolymerisaten.- Risszahigkeitsverhalten von ABS-Werkstoffen.- ABS - Sproedbruch-Untersuchungen der Morphologie-Versagens-Beziehung.- C Hybride Methoden der Kunststoffprufung und Kunststoffdiagnostik.- Neue Moeglichkeiten der zerstoerungsfreien Charakterisierung von Polymeren.- Ermittlung des lokalen Deformationsverhaltens von Kunststoffen mittels Laserextensometrie.- D Technologische Prufverfahren.- Einsatzgrenzen von Kunststoffen und deren Verbunden unter Reibungs- und Verschleissbedingungen.- Modifizierung von Polymerwerkstoffen mit amorphem Kohlenstoff zur Optimierung des Reibungsverhaltens.- Mechanisches Schwingungsverhalten einer CFK-Verdichterschaufel.- E Biokompatible Werkstoffe und medizinische Implantate.- Polymere Werkstoffe in der orthopadischen Gelenkchirurgie.- Werkstoffparameter von funktionellen Prothesen im HNO-Bereich bei fortschreitender Degradation.- Mikrobielle Korrosion von pharyngo-trachealen Shuntventilen.- Werkstoff-und Deformationsverhalten von Stimmprothesen - Sensibilitat mechanischer Prufverfahren.- F Spezielle Werkstoffe.- Rissinitiierung, Verschleiss und molekulare Struktur von gefullten Vulkanisaten.- Charakterisierung des Deformationsverhaltens von modifiziertem Polymerbeton.- G Einsatz-und Anwendungsgrenzen.- Der Einfluss des biaxialen Spannungszustandes auf die Werkstoffkennwertfunktionen nichtlinear-viskoelastischer Werkstoffe.- Mediale Bestandigkeit von PP/GF-Verbunden.- Einfluss der medialen Auslagerung auf das Impactverhalten glasfaserverstarkter Kunststoffe.- Physikalische Alterung von Polypropylen.- Autorenindex.

This thesis addresses the evolving field of measurement science, specifically that of mass spectrometry (MS) and ion mobility spectrometry (IMS) based techniques. It focuses on the design, construction and implementation of low-cost, easy-to-manufacture measurement tools that are used in modern settings such as airport security screening. Advances in these technologies often involve minimal performance enhancement at ever-increasing cost, which in turn limits accessibility to versatile measurement tools. This problem is addressed using desktop 3D printers along with widely available materials for the production of novel ion lenses and an IMS instrument with a performance comparable to that of many commercial systems. Bairds findings are a source of inspiration for scientists exploring this emerging field.

The series Topics in Current Chemistry Collections presents critical reviews from the journal Topics in Current Chemistry organized in topical volumes. The scope of coverage is all areas of chemical science including the interfaces with related disciplines such as biology, medicine and materials science. The goal of each thematic volume is to give the non-specialist reader, whether in academia or industry, a comprehensive insight into an area where new research is emerging which is of interest to a larger scientific audience. 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 are presented using selected examples to illustrate the principles discussed. The coverage is not intended to be an exhaustive summary of the field or include large quantities of data, but should rather be conceptual, concentrating on the methodological thinking that will allow the non-specialist reader to understand the information presented. Contributions also offer an outlook on potential future developments in the field.

Quantum Systems in Chemistry and Physics: Progress in Methods and Applications is a collection of 33 selected papers from the scientific contributions presented at the 16th International Workshop on Quantum Systems in Chemistry and Physics (QSCP-XVI), held at Ishikawa Prefecture Museum of Art in Kanazawa, Japan, from September 11th to 17th, 2011. The volume discusses the state of the art, new trends, and the future of methods in mol- ecular quantum mechanics and their applications to a wide range of problems in physics, chemistry, and biology. The breadth and depth of the scientific topics discussed during QSCP-XVI appears in the classification of the contributions in six parts: I. Fundamental Theory II. Molecular Processes III. Molecular Structure IV. Molecular Properties V. Condensed Matter VI. Biosystems. Quantum Systems in Chemistry and Physics: Progress in Methods and Applications is written for advanced graduate students as well as for professionals in theoretical chemi- cal physics and physical chemistry. The book covers current scientific topics in mole- cular, nano, material, and bio sciences and provides insights into methodological deve- lopments and applications of quantum theory in physics, chemistry, and biology that have become feasible at the end of 2011.

The series Topics in Organometallic Chemistry presents critical overviews of research results in organometallic chemistry. As our understanding of organometallic structure, properties and mechanisms increases, new ways are opened for the design of organometallic compounds and reactions tailored to the needs of such diverse areas as organic synthesis, medical research, biology and materials science. Thus the scope of coverage includes a broad range of topics of pure and applied organometallic chemistry, where new breakthroughs are being achieved that are of significance to a larger scientific audience. The individual volumes of Topics in Organometallic Chemistry are thematic. Review articles are generally invited by the volume editors. All chapters from Topics in Organometallic Chemistry are published OnlineFirst with an individual DOI. In references, Topics in Organometallic Chemistry is abbreviated as Top Organomet Chem and cited as a journal

This book provides a concise overview of the photophysics and spectroscopy of bio chromophore ions. The book "Photophysics of Ionic Biochromophores" summarizes important recent advances in the spectroscopy of isolated biomolecular ions in vacuo, which has within the last decade become a highly active research field. Advanced instrumental apparatus and the steady increase in more and more powerful computers have made this development possible, both for experimentalists and theoreticians. Applied techniques described here include absorption and fluorescence spectroscopy, which are excellent indicators of environmental effects and can thus shed light on the intrinsic electronic structures of ions without perturbations from e.g. water molecules, counter ions, nearby charges, and polar amino acid residues. When compared with spectra of the chromophores in their natural environment, such spectra allow to identify possible perturbations. At the same time gas-phase spectra provide important benchmarks for quantum chemistry calculations of electronically excited states. This volume focuses on biological systems from protein biochromophores, e.g. the protonated Schiff-base retinal responsible for vision, and individual aromatic amino acids to peptides and whole proteins, studied using visible, ultraviolet and vacuum ultraviolet light. Work on DNA nucleotides and strands that are amenable to mass spectrometric studies because of the negatively charged sugarphosphate backbone are also presented. DNA strands represent an example of the interplay between multiple chromophores, which is even harder to model correctly than just single chromophores due to spatially extended excited states and weak coupling terms. The experimental techniques used to measure spectra and commonly used theoretical methods are described with a discussion on limitations and advantages. The volume includes an updated status of the field and interesting future directions such as cold ion spectroscopy.

This book presents a new system of solar cells. Colloidal nanocrystals possess many physical and chemical properties which can be manipulated by advanced control over structural features like the particle size. One application field is photovoltaics where colloidal semiconductor nanocrystals are explored as components of photo-active layers which can be produced from liquid media, often in combination with conductive polymers. The further development of this interdisciplinary field of research requires a deep understanding of the physics and chemistry of colloidal nanocrystals, conducting polymers and photovoltaic devices. This book aims at bridging gaps between the involved scientific disciplines and presents important fundamentals and the current state of research of relevant materials and different types of nanoparticle-based solar cells. The book will be of interest to researchers and PhD students. Moreover, it may also serve to accompany specialized lectures in related areas.

This comprehensive presentation of the integral equation method as applied to electro-analytical experiments is suitable for electrochemists, mathematicians and industrial chemists. The discussion focuses on how integral equations can be derived for various kinds of electroanalytical models. The book begins with models independent of spatial coordinates, goes on to address models in one dimensional space geometry and ends with models dependent on two spatial coordinates. Bieniasz considers both semi-infinite and finite spatial domains as well as ways to deal with diffusion, convection, homogeneous reactions, adsorbed reactants and ohmic drops. Bieniasz also discusses mathematical characteristics of the integral equations in the wider context of integral equations known in mathematics. Part of the book is devoted to the solution methodology for the integral equations. As analytical solutions are rarely possible, attention is paid mostly to numerical methods and relevant software. This book includes examples taken from the literature and a thorough literature overview with emphasis on crucial aspects of the integral equation methodology.

This thesis describes a series of investigations designed to assess the value of metalloenzymes in systems for artificial and adapted photosynthesis. The research presented explores the interplay between inherent enzyme properties such as structure, rates and thermodynamics, and the properties of the semiconducting materials to which the enzyme is attached. Author, Andreas Bachmeier provides a comprehensive introduction to the interdisciplinary field of artificial photosynthesis, allowing the reader to grasp the latest approaches being investigated, from molecular systems to heterogeneous surface catalysis. Bachmeier's work also uses metalloenzymes to highlight the importance of reversible catalysts in removing the burden of poor electrocatalytic rates and efficiencies which are common characteristics for most artificial photosynthesis systems. Overall, this thesis provides newcomers and students in the field with evidence that metalloenzymes can be used to establish new directions in artificial photosynthesis research.

This textbook takes an interdisciplinary approach to the subject of thermodynamics and is therefore suitable for undergraduates in chemistry, physics and engineering courses. The book is an introduction to phenomenological thermodynamics and its applications to phase transitions and chemical reactions, with some references to statistical mechanics. It strikes the balance between the rigorousness of the Callen text and phenomenological approach of the Atkins text. The book is divided in three parts. The first introduces the postulates and laws of thermodynamics and complements these initial explanations with practical examples. The second part is devoted to applications of thermodynamics to phase transitions in pure substances and mixtures. The third part covers thermodynamic systems in which chemical reactions take place. There are some sections on more advanced topics such as thermodynamic potentials, natural variables, non-ideal mixtures and electrochemical reactions, which make this book of suitable also to post-graduate students.

This volume reviews the theory and simulation methods of stochastic kinetics by integrating historical and recent perspectives, presents applications, mostly in the context of systems biology and also in combustion theory. In recent years, due to the development in experimental techniques, such as optical imaging, single cell analysis, and fluorescence spectroscopy, biochemical kinetic data inside single living cells have increasingly been available. The emergence of systems biology brought renaissance in the application of stochastic kinetic methods.

This book presents a detailed history of chemical warfare development during the First World War and discusses design approaches to gas masks and the performance of new filter materials that decontaminate chemical warfare agents (CWA) when applied in the vapor phase. It describes multifunctional nanocomposites containing zinc and zirconium (hydr)oxides, graphite oxide and silver or gold nanoparticles as reactive adsorbents for the degradation of the CWAs vapors. In addition it examines in detail the surface properties that are most important in the mineralization performance.

Find out how theoretical calculations are used to determine, elucidate and propose mechanisms for Pd-catalyzed C-C cross-coupling reactions in Max Garcia Melchor's outstanding thesis. Garcia Melchor investigates one of the most significant and useful types of reactions in modern organic synthesis; the Pd-cross coupling reaction. Due to its versatility, broad scope and selectivity under mild conditions, this type of reaction can now be applied in fields as diverse as the agrochemical and pharmaceutical industry. Garcia Melchor studies the reaction intermediates and transition states involved in the Negishi, the copper-free Sonogashira and the asymmetric version of Suzuki-Miyaura coupling. He also characterizes and provides a detailed picture of the associated reaction mechanisms. The author has won numerous prizes for this work which has led to over eight publications in internationally renowned journals.

This anthological description of the history and applications of photochemistry provides photochemistry practitioners with complementary information about the field, currently not covered in existing textbooks and handbooks. The first part focuses on the historical development of the field, including light-matter interaction, the discovery of photochemical reactions and the development of modern photochemical mechanisms. This section provides useful background to the second part which outlines applications of photochemistry in the present day, such as in synthesis, green chemistry, diagnostics, medicine and nanotechnology. Furthermore, the author provides an outlook on promising areas for future developments. The broad scope of "Photochemistry: Past, Present and Future" is also of interest to the wider chemical audience and it makes a pleasant read while not compromising on scientific rigor.

"Transformation and Utilization of Carbon Dioxide"shows the various organic, polymeric and inorganic compounds which result from the transformation of carbon dioxide through chemical, photocatalytic, electrochemical, inorganic and biological processes. The book consists of twelve chapters demonstrating interesting examples of these reactions, depending on the types of reaction and catalyst. It also includes two chapters dealing with the utilization of carbon dioxide as a reaction promoter and presents a wide range of examples of chemistry and chemical engineering with carbon dioxide. "Transformation and Utilization of Carbon Dioxide"is a collective work of reviews illustrative of recent advances in the transformation and utilization of carbon dioxide. This book is interesting and useful to a wide readership in the various fields of chemical science and engineering.

Bhalchandra Bhanage is a professor of industrial and engineering chemistry at Institute of Chemical Technology, India.

Masahiko Arai is a professor of chemical engineering at Hokkaido University, Japan."

This book provides an excellent overview on the most recent results on the industrial applications of Mossbauer spectroscopy attained on the fields of nanotechnology, metallurgy, biotechnology and pharmaceutical industry, applied mineralogy, energy production industry (coal, oil, nuclear, solar, etc.), computer industry, space technology, electronic and magnetic devices technology, ion implantation technology, including topics like characterization of novel construction materials, electronic components and magnetic materials, composite materials, colloids, amorphous and nanophase materials, small particles, coatings, interfaces, thin films and multilayers, catalysis, corrosion, tribology, surface modification, hydrogen storage, ball milling, radiation effects, electrochemistry, batteries, etc. From the various reports a broad overview emerges illustrating that the method can successfully be applied in a wide variety of topics.
Previously published in the journal Hyperfine Interactions."

This second edition was updated to include some of the recent developments, such as "increased-valence" structures for 3-electron-3-centre bonding, benzene, electron conduction and reaction mechanisms, spiral chain O4 polymers and recoupled-pair bonding. The author provides qualitative molecular orbital and valence-bond descriptions of the electronic structures for primarily electron-rich molecules, with strong emphasis given to the valence-bond approach that uses "increased-valence" structures. He describes how "long-bond" Lewis structures as well as standard Lewis structures are incorporated into "increased-valence" structures for electron-rich molecules. "Increased-valence" structures involve more electrons in bonding than do their component Lewis structures, and are used to provide interpretations for molecular electronic structure, bond properties and reactivities. Attention is also given to Pauling "3-electron bonds", which are usually diatomic components of "increased-valence" structures for electron-rich molecules.

NMR of Paramagnetic Molecules: Applications to Metallobiomolecules and Models, Second Edition is a self-contained, comprehensive reference for chemists, physicists, and life scientists whose research involves analyzing paramagnetic compounds. Since the previous edition of this book was published, there have been many advancements in the field of paramagnetic NMR spectroscopy. This completely updated and expanded edition contains the latest fundamental theory and methods for mastery of this analytical technique. Users will learn how to interpret the NMR spectra of paramagnetic molecules, improve experimental techniques, and strengthen their understanding of the underlying theory and applications.

There is an increasing need to find cost-effective and environmentally sound methods of converting natural resources into fuels, chemicals and energy; catalysts are pivotal to such processes. Catalysis highlights major developments in this area. Coverage of this Specialist Periodical Report includes all major areas of heterogeneous catalysis. In each volume, specific areas of current interest are reviewed. Examples of topics include experimental methods, acid/base catalysis, materials synthesis, environmental catalysis, and syngas conversion.

Ion-exchange Technology I: Theory and Materials describes the theoretical principles of ion-exchange processes. More specifically, this volume focuses on the synthesis, characterization, and modelling of ion-exchange materials and their associated kinetics and equilibria. This title is a highly valuable source not only to postgraduate students and researchers but also to industrial R&D specialists in chemistry, chemical, and biochemical technology as well as to engineers and industrialists.

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.

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.

This thesis addresses the introduction of redox mediator into lithium-oxygen batteries to improve their electrochemical performance especially in terms of practical energy density and round-trip efficiency. In chapter 1, basic electrochemistry regarding lithium-oxygen batteries and redox mediators are introduced. In chapter 2 to 4, comprehensive researches including the discovery of a new redox mediator inspired by biological system, the investigation on kinetic property of redox mediator, and the prevention of shuttle phenomenon are introduced, followed by chapter 5 summarizing the contents. This thesis is targeted to students and researchers interested in electrochemistry and energy storage systems.

This comprehensive text collects the progress made in recent years in the fabrication, processing, and performance of organic nanophotonic materials and devices. The first part of the book addresses photonic nanofabrications in a chapter on multiphoton processes in nanofabrication and microscopy imaging. The second part of the book is focused on nanoscale light sources for integrated nanophotonic circuits, and is composed of three chapters on organic nano/microcavities, organic laser materials, and polymer light-emitting electrochemical cells (LECs). The third part is focused on the interactions between light and matter and consists in three chapters, including the propagation of light in organic nanostructures and photoswitches based on nonlinear optical polymer photonic crystals and photoresponsive molecules, respectively. The final chapter of this book introduces the integration of miniaturized photonic devices and circuits with various organic nanophotonic elements. The practical case studies demonstrate how the latest applications actually work, while tables throughout the book summarize key information and diagrams and figures help readers to grasp complex concepts and designs. The references at the end of each chapter can be used as the gateway to the relevant literature in the field. Moreover, this book helps researchers to advance their own investigations to develop the next generation of miniaturized devices for information processing, efficient energy conversion, and highly accurate sensing. Yong Sheng Zhao, PhD, is a Professor at the Institute of Chemistry, Chinese Academy of Sciences (ICCAS), China.