The nature and directionality of halogen bonding; the sigma hole, by Timothy Clark, Peter Politzer, Jane S. Murray Solid-state NMR study of halogen-bonded adducts, by David Bryce Infrared and Raman measurements of halogen bonding in cryogenic solutions, by Wouter Herrebout Halogen bonding in the gas phase, by Anthony C. Legon Halogen bonding in solution, Mate Erdelyi Unconventional motifs for halogen bonding, by Kari Rissanen Halogen bonding in supramolecular synthesis, Christer Aakeröy Halogen bond in synthetic organic chemistry, Stefan M. Huber Anion recognition in solution via halogen bonding, Mark S. Taylor Anion transport with halogen bonds, by Stefan Matile Halogen bonding in silico drug design, by Pavel Hobza, Kevin Riley Biological halogen bonds: An old dog with new tricks, by P. Shing Ho Principles and applications of halogen bonding in medicinal chemistry, by Frank M. Boeckler Halogen bond in molecular conductors and magnets, by Marc Foumigué Halogen bonding towards design of organic phosphors, by Wei Jun Jin Halogen bond in photoresponsive materials, by Pierangelo Metrangolo, Giuseppe Resnati, Arri Priimagi

This book is written for researchers and students interested in the function and role of chemical elements in biological or environmental systems. Experts have long known that the Periodic System of Elements (PSE) provides only an inadequate chemical description of elements of biological, environmental or medicinal importance. This book explores the notion of a Biological System of the Elements (BSE) established on accurate and precise multi-element data, including evolutionary aspects, representative sampling procedures, inter-element relationships, the physiological function of elements and uptake mechanisms. The book further explores the concept Stoichiometric Network Analysis (SNA) to analyze the biological roles of chemical species. Also discussed is the idea of ecotoxicological identity cards which give a first-hand description of properties relevant for biological and toxicological features of a certain chemical element and its geo biochemically plausible speciation form. The focus of this book goes beyond both classical bioinorganic chemistry and toxicology.

Troy Townsend's thesis explores the structure, energetics and activity of three inorganic nanocrystal photocatalysts. The goal of this work is to investigate the potential of metal oxide nanocrystals for application in photocatalytic water splitting, which could one day provide us with clean hydrogen fuel derived from water and solar energy. Specifically, Townsend's work addresses the effects of co-catalyst addition to niobium oxide nanotubes for photocatalytic water reduction to hydrogen, and the first use of iron oxide 'rust' in nanocrystal suspensions for oxygen production. In addition, Townsend studies a nickel/oxide-strontium titanate nanocomposite which can be described as one of only four nanoscale water splitting photocatalysts. He also examines the charge transport for this system. Overall, this collection of studies brings relevance to the design of inorganic nanomaterials for photocatalytic water splitting while introducing new directions for solar energy conversion.

This book underscores the essential principles of photocatalysis and provides an update on its scientific foundations, research advances, and current opinions, and interpretations. It consists of an introduction to the concepts that form the backbone of photocatalysis, from the principles of solid-state chemistry and physics to the role of reactive oxidizing species. Having recognised the organic link with chemical kinetics, part of the book describes kinetic concepts as they apply to photocatalysis. The dependence of rate on the reaction conditions and parameters is detailed, the retrospective and prospective aspects of the mechanism of photocatalysis are highlighted, and the adsorption models, photocatalytic rate expressions, and kinetic disguises are examined. This book also discusses the structure, property, and activity relationship of prototypical semiconductor photocatalysts and reviews how to extend their spectral absorption to the visible region to enable the effective use of visible solar spectrum. Lastly, it presents strategies for deriving substantially improved photoactivity from semiconductor materials to support the latest applications and potential trends.

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 Special offer For all customers who have a standing order to the print version of Structure and Bonding, we offer free access to the electronic volumes of the Series published in the current year via SpringerLink.

This book extends the development of the thermodynamic theory of specific intermolecular interactions to element-organic and specific organometallic compounds. The fundamentals of an unconventional approach to the theory of H-bonding and specific interactions are formulated, based on a concept of pentacoordinate carbon atoms. Prof. Baev has introduced the theory already in his successful books "Specific Intermolecular Interactions of Organic Compounds" and "Specific Intermolecular Interactions of Nitrogenated and Bioorganic Compounds". In this book he also demonstrates it for element organic and specific organometallic compounds, a class of substances which is of great importance in synthetic chemistry and catalysis. Furthermore, organic compound classes, that have not been treated in the previous books, are included. New types of hydrogen bonds and specific interactions are substantiated and their energies are determined on the basis of the developed methodology. In this way, the influence of the molecular structure on the energy and on intermolecular interactions can be discussed for these particular compound classes.

Crystals are everywhere, from natural crystals (minerals) through the semiconductors and magnetic materials in electronic devices and computers or piezoelectric resonators at the heart of our quartz watches to electro-optical devices. Understanding them in depth is essential both for pure research and for their applications. This book provides a clear, thorough presentation of their symmetry, both at the microscopic space-group level and the macroscopic point-group level. The implications of the symmetry of crystals for their physical properties are then presented, together with their mathematical description in terms of tensors. The conditions on the symmetry of a crystal for a given property to exist then become clear, as does the symmetry of the property. The geometrical representation of tensor quantities or properties is presented, and its use in determining important relationships emphasized. An original feature of this book is that most chapters include exercises with complete solutions. This allows readers to test and improve their understanding of the material. The intended readership includes undergraduate and graduate students in materials science and materials-related aspects of electrical and optical engineering; researchers involved in the investigation of the physical properties of crystals and the design of applications based on crystal properties such as piezoelectricity, electro-optics, optical activity and all those involved in the characterization of the structural properties of materials.

This book provides comprehensive coverage of nanocomposite materials obtained by the sol-gel method, from synthesis to applications and including design tools for combining different properties. Sol-gel nanocomposites are of great interest in meeting processing and application requirements for the development of multifunctional materials. These materials are already commercialized for a number of applications from scratch-resistant and anti-adhesive coatings to optical materials with active and passive properties. Biomedical applications, holographic recordings, fuel cells and hydrogen storage, resists and catalysts are among the potential uses. The novel mechanical, optical and electronic properties of nanocomposite materials depend not only on the individual component materials, but also on their morphology and nanoscale interfacial characteristics. Sol-gel is a highly versatile method for obtaining both the matrix and the filler of the nanocomposite and for chemically adjusting the interface to optimize structure and properties. Although nanocomposites are widely discussed in the literature, the focus has been mainly on polymer nanocomposites. This book addresses nanocomposites based on inorganic or hybrid organic-inorganic matrices, with an emphasis on the scientific principles which are the basis for nanocomposite sol-gel synthesis and applications. A didactic approach is followed, with different topics developed from a fundamental point of view together with key examples and case studies. First comprehensive treatment of nanocomposites obtained by sol-gel methods Focuses on nanocomposites with inorganic and hybrid organic-inorganic matrices Describes design tools to optimize structure and properties for various applications Covers synthesis, processing, characterization, and modeling Uses first principles to describe the influence of interfacial characteristics on materials properties Presents case studies for both films and bulk applications Provides examples of products on the market, with descriptions of the scientific principles at the base of their success Includes contributions from recognized leaders in this multidisciplinary area.

The Indian National Science Academy was established in January 1935 with the objective of promoting science in India and harnessing scientific knowledge for the cause of humanity and national welfare. In 1968 it was designated as the adhering organisation in India to the International Council for Scientific Union (ICSU) on behalf of the Government of India. Over the years, the Academy has published a number of journals, volumes, biographical memoirs, etc. The year 2009-2010 will be specially celebrated to mark the Platinum Jubilee of the Academy. Many programmes are planned in different centres in India on this occasion. In addition, the Academy has decided to publish a number of special volumes on different s- jects ranging from earth sciences to life sciences. This volume is on Physics and Chemistry of the Earth's Interior. One of the main objectives of geophysicists is to establish the internal structure of the earth as revealed by seismic tomography. It is also their primary goal to correlate geophy- cal data to reveal thermal and chemical state of the crust, mantle and core of the earth. In - der to interpret seismic velocities and associated density and elastic properties in terms of mineralogical and petrological models of the earth's interior, thermodynamic and hi- pressure temperature data from mineral physics are essential. With the advent of different types of multi-anvil and laser-heated diamond anvil equipment, it is now possible to simulate conditions prevalent even in the lower mantle and core of the earth.

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.

Understanding acid-base equilibria made easy for students in chemistry, biochemistry, biology, environmental and earth sciences. Solving chemical problems, be it in education or in real life, often requires the understanding of the acid-base equilibria behind them. Based on many years of teaching experience, Heike Kahlert and Fritz Scholz present a powerful tool to meet such challenges. They provide a simple guide to the fundamentals and applications of acid-base diagrams, avoiding complex mathematics. This textbook is richly illustrated and has full color throughout. It offers learning features such as boxed results and a collection of formulae.

In this fifth edition of Jack Jie Li's seminal "Name Reactions", the author has added twenty-seven new name reactions to reflect the recent advances in organic chemistry. As in previous editions, each reaction is delineated by its detailed step-by-step, electron-pushing mechanism and supplemented with the original and the latest references, especially from review articles. Now with addition of many synthetic applications, this book is not only an indispensable resource for advanced undergraduate and graduate students, but is also a good reference book for all organic chemists in both industry and academia. Unlike other books on name reactions in organic chemistry, Name Reactions, A Collection of Detailed Reaction Mechanisms and Synthetic Applications focuses on the reaction mechanisms. It covers over 320 classical as well as contemporary name reactions.

Chemists are used to the operational definition of symmetry, which crystallographers introduced long before the advent of quantum mechanics. The ball-and-stick models of molecules naturally exhibit the symmetrical properties of macroscopic objects. However, the practitioner of quantum chemistry and molecular modeling is not concerned with balls and sticks, but with subatomic particles: nuclei and electrons. This textbook introduces the subtle metaphors which relate our macroscopic understanding of symmetry to the molecular world. It gradually explains how bodily rotations and reflections, which leave all inter-particle distances unaltered, affect the study of molecular phenomena that depend only on these internal distances. It helps readers to acquire the skills to make use of the mathematical tools of group theory for whatever chemical problems they are confronted with in the course of their own research.

This thesis describes the first and long-sought successful synthesis of a new pyrazole-expanded porphyrin, a higher analog of porphyrin. This "Siamese-Twin Porphyrin" provides two conjoined porphyrin-like coordination spheres, thus being able to accommodate two metal ions within the same ligand. In her thesis, Lina Blusch not only explains the challenging synthesis and characterization of the ligand system, but also its application to the synthesis of homo- and hetero-bimetallic Ni and Cu complexes. She observes interesting metal-metal-interactions in the complexes, that lead to a non-innocent multistep redox chemistry. The ligand system and its complexes show an intriguing twisted geometry, giving rise to helical chirality and other fascinating properties. This study explores the first steps and opens up a new chemistry of expanded porphyrins with the potential to biomimetic applications.

This volume covers both basic and advanced aspects of organometallic chemistry of all metals and catalysis. In order to present a comprehensive view of the subject, it provides broad coverage of organometallic chemistry itself. The catalysis section includes the challenging activation and fictionalization of the main classes of hydrocarbons and the industrially crucial heterogeneous catalysis. Summaries and exercises are provides at the end of each chapter, and the answers to these exercises can be found at the back of the book. Beginners in inorganic, organic and organometallic chemistry, as well as advanced scholars and chemists from academia and industry will find much value in this title.

Aerogels are the lightest solids known. Up to 1000 times lighter than glass and with a density as low as only four times that of air, they show very high thermal, electrical and acoustic insulation values and hold many entries in Guinness World Records. Originally based on silica, R&D efforts have extended this class of materials to non-silicate inorganic oxides, natural and synthetic organic polymers, carbon, metal and ceramic materials, etc. Composite systems involving polymer-crosslinked aerogels and interpenetrating hybrid networks have been developed and exhibit remarkable mechanical strength and flexibility. Even more exotic aerogels based on clays, chalcogenides, phosphides, quantum dots, and biopolymers such as chitosan are opening new applications for the construction, transportation, energy, defense and healthcare industries. Applications in electronics, chemistry, mechanics, engineering, energy production and storage, sensors, medicine, nanotechnology, military and aerospace, oil and gas recovery, thermal insulation and household uses are being developed with an estimated annual market growth rate of around 70% until 2015. The Aerogels Handbook summarizes state-of-the-art developments and processing of inorganic, organic, and composite aerogels, including the most important methods of synthesis, characterization as well as their typical applications and their possible market impact. Readers will find an exhaustive overview of all aerogel materials known today, their fabrication, upscaling aspects, physical and chemical properties, and most recent advances towards applications and commercial products, some of which are commercially available today. Key Features: *Edited and written by recognized worldwide leaders in the field *Appeals to a broad audience of materials scientists, chemists, and engineers in academic research and industrial R&D *Covers inorganic, organic, and composite aerogels *Describes military, aerospace, building industry, household, environmental, energy, and biomedical applications among others

This book comprehensively details the applications of ionic liquids in rare earth green separation and utilization based on the unique interactions of ionic liquids with rare earth ions. It consists of nine chapters demonstrating the synthesis and properties of ionic liquids, coordination chemistry of ionic liquids and rare earth, ionic liquids as diluents, extractants, adsorption resins for rare earth extraction and separation, electrodeposition of rare earth metals in ionic liquids, and preparation of rare earth material with the aid of ionic liquids. It is both interesting and useful to chemists, metallurgists and graduate students working on fundamental research of ionic liquids as well as professionals in the rare earth industry. It provides considerable insights into green chemistry and sustainable processes for rare earth separation in order to meet the environmental challenge of rare earth metallurgy around the globe, especially in China. Ji Chen is a Professor of Chemistry at the Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, China.

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 Special offer for all customers who have a standing order to the print version of Structure and Bonding, we offer free access to the electronic volumes of the Series published in the current year via SpringerLink.

Wen-Dan Cheng, Chen-Sheng Lin, Wei-Long Uhang, Hao Zhang: Structural Designs and Property Characterizations for Second-Harmonic Generation Materials.- Fang Kong, Chuan-Fu Sun, Bing-Ping Yang, Jiang-Gao Mao: Second-order Non-linear Optical Materials based on Metal Iodates, Selenites and Tellurites.- Guo-Fu Wang: Structure, growth, nonlinear optics and laser properties of RX3(BO3)4 (R=Y, Gd, La; X=Al, Sc).- Chaoyang Tu, Zhaojie Zhu, Zhenyu You, Jianfu Li, Yan Wang, Alain Brenier: The Recent Development of Borate SF-conversion Laser Crystal.- Ning Ye: Structure design and crystal growth of UV nonlinear borate materials.- Yi-Zhi Huang, Li-Ming Wu, Mao-Chun Hong: Cation Effect in Doped BBO and Halogen Anion Effect in Pb2B5O9X (X- = I-, Br-, Cl-).

Xiao-Ming Jiang, Sheng-Ping Guo, Hui-Yi Zeng, Ming-Jian Zhang, Guo-Cong Guo: Large Crystal Growth and New Crystal Exploration of Mid-Infrared Second-Order Nonlinear Optical Materials.- Kechen Wu: Simulation and Design of Infrared Second-Order Nonlinear Optical Materials in Metal Cluster Compounds.- Chaoyang Tu: The Recent Development Of SRS and SRS SF- conversion Laser Crystal.- Hua-Jun Zhao, Xin-Tao Wu, Li-Ming Wu: Exploration of New Second-Order Nonlinear Optical Compounds Containing Main Group Elements.

This PhD thesis presents the latest findings on the tunable surface chemistry of graphene/graphene oxide by systematically investigating the tuning of oxygen and nitrogen containing functional groups using an innovative carbonization and ammonia treatment. In addition, novel macroscopic assemblies or hybrids of graphene were produced, laying the theoretical foundation for developing graphene-based energy storage devices. This work will be of interest to university researchers, R&D engineers and graduate students working with carbon materials, energy storage and nanotechnology.

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 Special offer For all customers who have a standing order to the print version of Structure and Bonding, we offer free access to the electronic volumes of the Series published in the current year via SpringerLink.

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 Special offer For all customers who have a standing order to the print version of Structure and Bonding, we offer free access to the electronic volumes of the Series published in the current year via SpringerLink.

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 reviews the structure and electronic, magnetic, and other properties of various MoS2 (Molybdenum disulfide) nanostructures, with coverage of synthesis, Valley polarization, spin physics, and other topics. MoS2 is an important, graphene-like layered nano-material that substantially extends the range of possible nanostructures and devices for nanofabrication. These materials have been widely researched in recent years, and have become an attractive topic for applications such as catalytic materials and devices based on field-effect transistors (FETs) and semiconductors. Chapters from leading scientists worldwide create a bridge between MoS2 nanomaterials and fundamental physics in order to stimulate readers' interest in the potential of these novel materials for device applications. Since MoS2 nanostructures are expected to be increasingly important for future developments in energy and other electronic device applications, this book can be recommended for Physics and Materials Science and Engineering departments and as reference for researchers in the field.