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Chromic or colour related phenomena are produced in response to a chemical or physical stimulus. This new edition will update the information on all those areas where chemicals or materials interact with light to produce colour, a colour change, or luminescence especially in the imaging, analysis, lighting and display areas. The book has been restructured to show greater emphasis on applications where'coloured'compounds are used to transfer energy or manipulate light in some way therefore reducing the details on classical dyes and pigments. In the past eight years, since the previous edition, there has been a remarkable increase in the number of papers and reviews being produced reflecting the growth of interest in this area. This ongoing research interest is matched by a large number of new technological applications gaining commercial value covering e.g. biomedical areas, energy, data storage, physical colour, bio-inspired materials and photonics. This book appeals to industrial chemists, professionals, postgraduates and as high level recommended reading for colour technology courses.

Ambient ionization has emerged as one of the hottest and fastest growing topics in mass spectrometry enabling sample analysis with minimal sample preparation. Introducing the subject and explaining the basic concepts and terminology, this book will provide a comprehensive, unique treatise devoted to the subject. Written by acknowledged experts, there are full descriptions on how new ionization techniques work, with an overview of their strengths, weaknesses and applications. This title will bring the reader right up to date, with both applications and theory, and will be suitable as a tutorial text for those starting in the field from a variety of disciplines.

Industrial and academic scientists face increasing challenges to find cost-effective and environmentally sound methods for converting natural resources into fuels, chemicals and energy. With over 7000 papers published in this field of catalysis each year, keeping up with the literature can be difficult. Catalysis Volume 27 presents critical and comprehensive reviews of the hottest literature published over the last twelve months. Covering major areas such as chemical transformations using two-dimensional hybrid nanocatalysts, conversion of biomass-derived syngas to fuels and catalytic oxidation of organic pollutants in aqueous solution using sulfate radicals, this book is a useful reference for anyone working in catalysis and an essential resource for any library.

The focus of this excellent textbook is the topic of molecular reaction dynamics. The chapters are all written by internationally recognised researchers and, from the outset, the contributors are writing with the young scientist in mind. The easy to use, stand-alone, chapters make it of value to students, teachers, and researchers alike. Subjects covered range from the more traditional topics, such as potential energy surfaces, to more advanced and rapidly developing areas, such as femtochemistry and coherent control. The coverage of reaction dynamics is very broad, so many students studying chemical physics will find elements of this text interesting and useful. Tutorials in Molecular Reaction Dynamics includes extensive references to more advanced texts and research papers, and a series of'Study Boxes'help readers grapple with the more difficult concepts. Each chapter is thoroughly cross-referenced, helping the reader to link concepts from different branches of the subject. Worked problems are included, and each chapter concludes with a selection of problems designed to test understanding of the subjects covered. Supplementary reading material, and worked solutions to the problems, are contained on a secure website.

The cost of drug development is increasing, and investment returns are decreasing. The number of drugs approved by FDA is in decline in terms of the number of new molecular entities (NMEs). Amongst the reasons noted for this are the adverse side effects and reduced efficiency of many of the potential compounds. This is a problem both for the pharmaceutical industry and for those suffering from diseases for which there are no or few available treatments. Advances in computational chemistry, computer science, structural biology and molecular biology have all contributed to improved drug design strategies and reduced the time taken for drug discovery. By interfacing cheminformatics and bioinformatics with systems biology we can create a powerful tool for understanding the mechanisms of patho-physiological systems and identifying lead molecules for various diseases. This integration of drug design approaches can also play a crucial role in the prediction and rationalization of drug effects and side effects, improving safety and efficacy and leading to better approval rates. Addressing the lack of knowledge on the fundamental aspects of the various computational tools for drug discovery, this book is a compilation of recent bioinformatics and cheminformatics approaches, and their integration with systems biology. Written primarily for researchers and academics in chem- and bioinformatics, it may also be a useful resource for advanced-level students.

Describing the importance of surfactants in electrochemical investigations related to biologically and environmentally vital chemicals, this book charts the progression of highly responsive electrochemical sensors using surfactants as a modifying agent in the sensor field. It provides contributed chapters from respected researchers on information concerning the activity of target molecules and electron transfer kinetics arising at the surface of the fabricated sensor materials. Surfactant-based electrochemical sensors are of great interest in the quest to find low-cost, fast and highly responsive sensing devices and one aim of this book is to help improve the competence and knowledge in this newly emerging interdisciplinary research area. Attracting an audience of students, academics, industrialists and engineers, it will interest researchers seeking to use non-toxic sensors in their detection challenges.

The term active fluids refers to motions that are created by transforming energy from the surroundings into directed motion. There are many examples, both natural and synthetic, including individual swimming bacteria or motile cells, drops and bubbles that move owing to surface stresses (so-called Marangoni motions), and chemical- or optical-driven colloids. Investigations into active fluids provide new insights into non-equilibrium systems, have the potential for novel applications, and open new directions in physics, chemistry, biology and engineering. This book provides an expert introduction to active fluids systems, covering simple to complex environments. It explains the interplay of chemical processes and hydrodynamics, including the roles of mechanical and rheological properties across active fluids, with reference to experiments, theory, and simulations. These concepts are discussed for a variety of scenarios, such as the trajectories of microswimmers, cell crawling and fluid stirring, and apply to collective behaviours of dense suspensions and active gels. Emerging avenues of research are highlighted, ranging from the role of active processes for biological functions to programmable active materials, showcasing the exciting potential of this rapidly-evolving research field.

This annual review provides critical analysis of the literature on photochemistry and its applications for anyone wanting to keep up to date with the field. Combining reviews on the latest advances in photochemical research with specific topical highlights, this book is the primary resource for anyone wanting succinct and rich information. The volume starts with periodical reports of the recent literature on physical and inorganic aspects, including the molecules of colour, light induced reactions in cryogenic matrices, photobiological systems studied by time-resolved infrared spectroscopy, photophysics and photochemistry of transition metal complexes, recent advances in photocatalytic water splitting, and finally a chapter on time-resolved spectroscopy application of LFP to heterogeneous photocatalysis. Coverage continues in the second part with highlighted topics including, among others, transition metal complexes-based photochemotherapy, advances in polaritonic photochemistry, synthetic strategies based on halogen atom transfer processes and photochemical water oxidation using metal-based chromospheres. This volume will again include a third section entitled SPR Lectures on Photochemistry, providing examples introducing academic readers to a photochemistry topic and precious help for students in photochemistry.

Since the early 20th century, X-ray and electron scattering has provided a powerful means by which the location of atoms can be identified in gas-phase molecules and condensed matter with sub-atomic spatial resolution. Scattering techniques can also provide valuable observables of the fundamental properties of electrons in matter such as an electron's spin and its energy. In recent years, significant technological developments in both X-ray and electron scattering have paved the way to time-resolved analogues capable of capturing real-time snapshots of transient structures undergoing a photochemical reaction. Structural Dynamics with X-ray and Electron Scattering is a two-part book that firstly introduces the fundamental background to scattering theory and photochemical phenomena of interest. The second part discusses the latest advances and research results from the application of ultrafast scattering techniques to imaging the structure and dynamics of gas-phase molecules and condensed matter. This book aims to provide a unifying platform for X-ray and electron scattering.

Historically the field of heterogeneous catalysis has focused on the design and optimisation of the catalytic materials. However, as these optimisations start to reach diminishing returns, attention has turned to non-conventional means for improving reaction conditions such as the use of ultrasound, plasma, electromagnetic heating and microwave heating. Microwave-assisted catalysis has been demonstrated to be useful in a wide range of applications including ammonia synthesis, desulfurization and production of chemicals from biomass. Advances in Microwave-assisted Heterogeneous Catalysis begins with the basics of microwave heating and the role of microwaves in heterogeneous catalysis. It goes on to cover the mechanisms of microwave specific reaction rate enhancement, microwave-assisted synthesis of porous, nonporous and supported metal catalysts, microwave augmented reactor technology and microwave-induced catalysis. The application of microwave-assisted heterogeneous catalysis in various fields of energy conversion, environmental remediation, and bulk and specialty chemicals synthesis are also discussed, making this a great reference for anyone involved in catalysis research.

Silicon, germanium, and compound semiconductors, among which silicon carbide, gallium arsenide and gallium nitride are the most representative examples, play a withstanding role in the world economy, since they were and still are the keys for the advancement of modern microelectronics and optoelectronics, with a wealth of sister technologies relevant for renewable energy solutions and advanced spectroscopy applications. This textbook will cover the synthesis, spectroscopic characterisation and optimisation of semiconductor materials, accounting for the most recent developments in the field of nanomaterials. It will be of great interest for scholars and instructors to have the chance to look at semiconductor science with a basic chemical approach. Homopolar semiconductors (silicon and germanium) are examined first, considering the role of these materials in modern microelectronics and in photovoltaics. Compound semiconductors (for example, carbides, arsenides, tellurides, nitrides) are also discussed in detail, considering that the chemistry of their preparation is even more critical and their role in photonic applications is strategic. Authored by a leading expert in the field, this easily accessible text is appropriate for advanced undergraduates and postgraduates studying materials science and technology.

Reaction Mechanisms of Metal Complexes in Solution provides a comprehensive overview of an often-overlooked research area. Despite its importance and recent reshaping of the field, many inorganic chemists have lost an appreciation for the significance of stability constants and the thermodynamic aspects of complex formation. Ideal for newcomers and established researchers in the field this book is a complete treatment of the area covering advanced topics with relevance to biomedical applications, extraction metallurgy, food chemistry and a wealth of other industrial processes and research areas. The book will be of particular interest to postgraduates with an interest in coordination chemistry, catalysis, supramolecular chemistry, metallobiology and related aspects of biochemistry.

Photodynamic therapy (PDT) is increasingly used among health practitioners in combatting a variety of diseases, most notably various types of cancer, and is often utilised in combination with other therapeutic options to enhance efficacy or reduce adverse reactions. Combination Therapies Involving Photodynamic Therapy reviews the current state of development of PDT and presents the foreseeable advancements of combination approaches to therapeutic strategies. This book represents a novel approach to the therapeutic applications of five different technologies including the combinations of photodynamic therapy, photothermal hyperthermia therapy, magnetic hyperthermia therapy, chemotherapy, and cold atmospheric pressure plasma therapy. An ideal companion for students, researchers and practitioners in biological sciences, biotechnology, and photobiological and photochemical sciences, as well as medicinal and pharmaceutical chemistry.

Written by active investigators in the field, this book describes state-of-the-art methods that can accelerate the acquisition of 2D NMR spectra in solution-state NMR. The acquisition of fast multi-dimensional NMR data has motivated numerous ground-breaking developments in NMR pulse sequences and associated data processing methods. These in turn have revolutionized the way 2D NMR acquisitions are performed, at the same time broadening the scope of applications of 2D NMR. The first part of the book provides an in-depth description of the concepts and implementation of major fast 2D NMR methods. The second part follows with illustrations of how such methods can be used in applications that require the acquisition of fast 2D NMR spectra, from reaction monitoring to hyperpolarization, including applications to a broad variety of samples and experimental conditions. Appealing to readers from both the methodology and applications communities, this title will fill a gap in the market for a book focused on small molecule NMR, and researchers from both academia and industry will find a rich plethora of knowledge.

Ever wondered if the chemical processes taking place in space could be related to the origins of life? The authors of this book, both experienced astrochemists, embark on a discussion to find the answers to this question and more, and include a general introduction to astrochemistry for chemistry students. They explore chemistry occurring in the universe from its very early beginnings until the present era. Based on our current understanding, astrochemistry is known to occur in interstellar gas, on dust grains and in interstellar ices, in stellar atmospheres and envelopes, in dense star- and planet-forming regions, and on planets and other bodies in planetary systems. Recent observational discoveries supported by remarkable laboratory work emphasize chemical complexity, leading to answers to the tantalizing question: can this complexity be related to the origin of life? This book provides the tools to enable chemistry students to make their own computational investigations of astrochemistry and directs study across the chemical sciences and astronomy. Concentrating on fundamental processes, this book is a useful teaching aid.

Completely revised and updated, this 2nd Edition of Reactivity and Mechanism in Organic Chemistry is an ideal introduction to the quantitative description of organic reactivity for students in undergraduate and masters chemistry programmes. The book proceeds logically from qualitative molecular orbital theory as a tool for the description of bonding phenomena to combining this with thermochemical data to rationalise concepts such as molecular strain and hyperconjugation. Next, transition state theory, for examining organic reactivity phenomena, is introduced and its relation to energy surfaces and simple rate equations is discussed. On this basis more specific reactivity concepts commonly used in organic chemistry are explored such as the Bell–Evans–Polanyi principle, Marcus theory, HSAB principle, Hammett correlations, the Mayr–Patz equation, and FMO theory. How these reactivity models are applied is demonstrated for pericyclic reactions and selected rearrangement reactions involving transient intermediates such as radicals, diradicals, or carbocations, and for reactions involving classical electrophile/nucleophile combinations.

Over the last two decades, advances in the design, miniaturization, and analytical capabilities of portable X-ray fluorescence (pXRF) instrumentation have led to its rapid and widespread adoption in a remarkably diverse range of applications in research and industrial fields. The impetus for this volume was that, as pXRF continues to grow into mainstream use, analysts should be increasingly empowered with the right information to safely and effectively employ pXRF as part of their analytical toolkit. This volume provides introductory and advanced-level users alike with readings on topics ranging from basic principles of pXRF and qualitative and quantitative approaches, through to machine learning and artificial intelligence for enhanced applications. It also includes fundamental guidance on calibrations, the mathematics of calculating uncertainties, and an extensive reference index of all elements and their interactions with X-rays. Contributing authors have provided a wealth of information and case studies in industry-specific chapters. These sections delve into detail on current standard practices in industry and research, including examples from agricultural and geo-exploration sectors, research in art and archaeology, and metals industrial and regulatory applications. As pXRF continues to grow in use in industrial and academic settings, it is essential that practitioners continue to learn, share, and implement informed and effective use of this technique. This volume serves as an accessible guidebook and go-to reference manual for new and experienced users in pXRF to achieve this goal.

Artificial photosynthesis is the process of converting solar energy into useful fuels and represents a significant achievement in the production of clean energy for the planet. In the process, energy is generated from water and CO2 reduction using solar-powered photocatalysis. This book provides a comprehensive overview of recently developed, multifunctional materials as visible light-driven catalysts, their mechanisms and applications in solar energy utilisation and conversion. Chapters highlight the use of different approaches such as molecular catalysis, nanomaterials systems, as well as thin-films for solar-driven evolution of renewable fuels, such as hydrogen. This is the first book to give an overview of this area, with chapters specifically interesting for those looking towards industrial applications. With in-depth discussions ranging from understanding, to engineering of materials and applied devices, it will be suitable for industry professionals, researchers and students interested in understanding of the current state of photocatalysis research and its possible applications in the energy domain.

Asymmetric autocatalysis is a reaction in which chiral compound acts as a chiral catalyst for its own production. The process is a catalytic automultiplication of the chiral compound leading to an end product with a high enantiomeric excess. It has advantages over non-autocatalytic reactions because the amount of catalyst increases and no loss or deterioration of the catalyst is observed. Additionally, because the catalyst and product have the same structure, the separation of product from the catalyst is not necessary. Asymmetric Autocatalysis provides a comprehensive introduction to the topic of autocatalysis and an in-depth review of the current state of the research. Edited by a team including Professor Kenso Soai, who first described these types of reaction, and written by experts from around the world this book is a great resource for anyone with an interest in organic synthesis, catalysis and chirality.

Chemical modelling covers a wide range of disciplines, and this book is the first stop for any chemist, materials scientist, biochemist, or molecular physicist wishing to acquaint themselves with major developments in the applications and theory of chemical modelling. Containing both comprehensive and critical reviews, it is a convenient reference to the current literature. Coverage includes, but is not limited to, considerations towards rigorous foundations for the natural-orbital representation of molecular electronic transitions, quantum and classical embedding schemes for optical properties, machine learning for excited states, ultrafast and wave function-based electron dynamics, and attosecond chemistry.

This annual review, the 50th volume in the series, provides critical analysis for anyone wanting to keep up to date with the literature on photochemistry and its applications. This essential volume combines reviews on the latest advances in photochemical research with specific topical highlights in the field. The volume starts with periodical reports of the recent literature on organic and computational aspects, including computational advances in photochemistry, chemiluminescence and dark photochemistry, organic aspects of photochemistry of alkenes, dienes and polyenes, aromatic compounds, oxygen-containing functions and those functions containing other heteroatoms, and finally a chapter on transition metal catalysis. Coverage continues in the second part with highlighted topics including photochemical tools for sensing and controlling biological processes, visible light driven enantioselective processes, photochemical formation of C–Chalcogen bonds, photoelectrocatalysis, photovoltaic techniques, photochemical activation of aryl chlorides, luminescent water-soluble systems and computational analyses of fluorescence absorption spectra. This volume will again include a third section entitled ‘SPR Lectures on Photochemistry', providing examples for academic readers to introduce a photochemistry topic and precious help for students in photochemistry.

Written chemical formulas, such as C2H6O, can tell us the constituent atoms a molecule contains but they cannot differentiate between the possible geometrical arrangements (isomers) of these models. Yet the chemical properties of different isomers can vary hugely. Therefore, to understand the world of chemistry we need to ask what kind of isomers can be produced from a given atomic composition, how are isomers converted into each other, how do they decompose into smaller pieces, and how can they be made from smaller pieces? The answers to these questions will help us to discover new chemistry and new molecules. A potential energy surface (PES) describes a system, such as a molecule, based on geometrical parameters. The mathematical properties of the PES can be used to calculate probable isomer structures as well as how they are formed and how they might behave. Exploration on Quantum Chemical Potential Energy Surfaces focuses on the PES search based on quantum chemical calculations. It describes how to explore the chemical world on PES, discusses fundamental methods and specific techniques developed for efficient exploration on PES, and demonstrates several examples of the PES search for chemical structures and reaction routes.

In a classical kinetic resolution, two enantiomers of a racemate are transformed into chiral products at different rates with a maximum theoretical yield of 50%. However, the need to reduce costs and waste in synthesis have led to efforts to develop novel resolution procedures proceeding beyond this 50% limited yield. This has led to the evolution of classical kinetic resolution into dynamic kinetic resolution (DKR), allowing a quantitative yield of one of the enantiomers. DKR combines the resolution step of kinetic resolution with an in-situ racemization of the chirally-labile substrate. It is only in the last two decades that chiral green organocatalysts have been demonstrated to be capable of promoting DKRs considerably expanding the synthetic scope of the powerful concept of DKR. Collecting all the developments in the field of DKR, this book shows that a wide variety of organocatalysts allow excellent levels of stereocontrol and yields in many types of transformations. It is a great resource for academics and industrialists interested in green enantioselective catalytic reactions.

Over the past decade, great strides have been taken in developing methodologies that can treat more and more complex nano- and nano-bio systems embedded in complex environments. Multiscale Dynamics Simulations covers methods including DFT/MM-MD, DFTB and semi-empirical QM/MM-MD, DFT/MMPOL as well as Machine-learning approaches to all of the above. Focusing on key methodological breakthroughs in the field, this book provides newcomers with a comprehensive menu of multiscale modelling options so that they can better chart their course in the nano/bio world.

Written for senior undergraduate and graduate students, as well as those chemists unfamiliar with “frustrated Lewis pairs (FLPs)”, this text serves as an introduction to the both the concept and application of FLPs in hydrogenation catalysis. The book begins by setting the stage as it was around the turn of the century. While the dramatic impacts of catalysis were undeniable, there was dependence of such technologies on transition metal chemistry. Contrastingly, the chemistry of main group elements was dominated by Lewis acid-base behavior. However, these perceptions were altered with the discovery of the ability of “frustrated Lewis pairs (FLPs)” to activate dihydrogen. The basic features, and mechanisms of action of these unique main group systems are chronicled, while the evolution of the initial findings to applications in catalytic hydrogenation is discussed. A subsequent chapter focuses on the breadth of organic substrates for which borane based FLP hydrogenations are effective. This is furthered with a chapter on the metal-free enantioselective reductions. FLP chemistry is not limited to systems involving boranes and this book also catalogues a range of FLP hydrogenation catalysts involving elements from across the periodic table. The final chapter in the book describes other directions of interest where the application of the concept of FLPs hydrogenation are beginning to emerge. Ideal for course use and self study, this book provides synthetic chemists with a fresh, expert introduction to the field. The reader will be left recognizing that hydrogenation catalysts is a domain no longer limited to transition metals.

Membrane technology has received great popularity in many industrial sectors and significantly enhanced our abilities to restructure production processes, protect the environment and public health, and provide competitive strategies for separation and purification. However, the need for sustainable development has imposed new targets for this technology, such as more effective/precise separation and stricter admissible limits for the discharge of contaminants into the environment. Focusing on hot topic environment-related applications, Advances in Functional Separation Membranes introduces emerging membranes nanoengineered with attractive functions and discusses their key features. It also provides a comprehensive guide to various design strategies for such functional membranes, making it useful reference for environmental chemists and membrane engineers alike.

Two-dimensional (2D) materials for photocatalytic applications have attracted attention in recent years due to their unique thickness-dependent physiochemical properties. 2D materials offer enhanced functionality over traditional three-dimensional (3D) photocatalysts due to modified chemical composition and electronic structures, as well as abundant surface active sites. This book reviews the applications of 2D-related nano-materials in solar-driven catalysis, providing an up-to-date introduction to the design and use of 2D-related photo(electro)catalysts. This includes not only application areas such as fine chemicals synthesis, water splitting, CO2 reduction, and N2 fixation, but also catalyst design and preparation. Some typical 2D and 2D-related materials (such as layered double hydroxides (LDHs), layered metal oxides, transition metal dichalcogenide (TMDs), metal–organic frameworks (MOFs), graphene, g-C3N4, etc.) are classified, and relationships between structure and property are demonstrated, with emphasis on how to improve 2D-related materials performance for practical applications. While the focus of this book will primarily be on experimental studies, computational results will serve as a necessary reference. With chapters written by expert researchers in their fields, Photocatalysis Using 2D Nanomaterials will provide advanced undergraduates, postgraduates and other researchers convenient introductions to these topics.

Providing critical analysis of emerging and well-established topics, this book is essential reading for anyone wanting to keep up to date with the literature on photochemistry and its applications. Volume 49 combines reviews on the latest advances in photochemical research with specific highlights in the field. The first section includes periodical reports of the recent literature on physical and inorganic aspects, including reviews of the molecules employed as dyes in art, light induced reactions in cryogenic matrices, photobiological systems studied by time-resolved infrared spectroscopy and photophysics, and photochemistry of transition metal complexes. This selection is completed by reviews of the literature on solar photocatalysis for water decontamination and disinfection and for water splitting/hydrogen production. Coverage continues in the second part with highlighted topics, from the use of aromatic carbonyls as photocatalysts and photoinitiators in synthesis, photoinduced and photocatalysed decarboxylation reactions, development of dye-sensitized solar cells, design of luminescent water-soluble systems, and applications of plasmonic nanoparticles. This volume also includes a third section entitled ‘SPR Lectures on Photochemistry', where leading scientists in photochemistry provide examples to introduce a photochemical topic to academic readers, offering precious assistance to students in this field.

Smart materials stimulated by chemical or by logical signals hold promise for many applications, including new sensors and actuators for medicine, environmental and process control. In contrast to other books on responsive materials which are restricted to sensing, this volume not only highlights fundamental chemical and physical principles but also focuses on the use of smart materials for applications such as drug delivery, wound healing, cell adhesion, tuneable vesicles, surface control, smart paints and glasses, separations, oil recovery and artificial muscles. In this completely updated and expanded edition, readers are introduced to the area with chapters reflecting the enormous expansion of the field in recent years. Different responsive material systems will be covered including hydrogels, membranes, thin layers, polymer brushes, chemomechanical and imprinted polymers, nanomaterials and silica particles. With contributions from internationally recognised experts, the book will appeal to graduate students and researchers in academia, healthcare and industry interested in functional materials and their applications.

This volume looks at modern approaches to catalysis and reviews the extensive literature. Chapters highlight microkinetic modeling, encapsulated metals for confined catalysis, recent advances on the direct decomposition of NOx and heteropolyacid catalysts. There is also a chapter reviewing methods for estimating adsorption energies on catalytic surfaces, which will provide information from both fundamental and technological points of view. Appealing broadly to researchers in academia and industry, the detailed chapters bridge the gap from academic studies in the laboratory to practical applications in industry, not only for the catalysis field, but also for environmental protection. The book will be of great benefit to any researcher wanting a succinct reference on developments in this area now and looking to the future.

In an effort to reduce dependency on fossil fuel resources, biomass could essentially be converted into chemicals using high capacity processes. The Fischer–Tropsch Synthesis (FTS) pathway has been chosen as the focus of this book as it is a mature area, and unlike other pathways such as pyrolysis, FTS is a potential way of producing fuel/hydrocarbons with no sulfur, no nitrogen, and no heavy metals contamination, making it a good choice. Integrating technological development and business development rationales to highlight the key technological developments that are necessary to industrialize biofuels on a global scale, this book focusses on the key challenges that still hinder the effective biomass use and the realization of zero fossil fuel use. Traditional biomass to hydrocarbons pathways are covered, showcasing how they are tailored to yield a specific group of chemicals with the aim of reducing downstream processes. New developments are considered, including process synthesis, catalysts, and reactors, etc. Providing an up-to-date overview of the production of specialty chemicals and fuels from biomass via the Fischer–Tropsch Synthesis pathway, this title makes an excellent addition to the libraries of academics and practitioners working in catalysis and chemical engineering.

CHEMISTRY STUDENT GUIDES. GUIDED BY STUDENTS For any student who has ever struggled with a mathematical understanding of chemistry, this book is for you. Mathematics is the essential tool for physical scientists. We know that confidence in using mathematics early on in a chemistry degree builds a solid foundation for further study. However, applying the abstract mathematics taught in schools to chemical phenomena is one of the biggest challenges that chemistry students face. In this book, we take a ‘chemistry-first'approach. We link the mathematics to recognisable chemical concepts, building on high school chemistry, to facilitate deeper understanding. We cover the practical mathematical skills, including representation of data as tables and graphs, and give an overview of error handling in the physical sciences. More advanced mathematical concepts are introduced, using calculus to determine kinetic rate laws, intermolecular forces and in quantifying energetic change in thermodynamics. We also introduce the concept of the complex number and its role in considering quantum wave functions, widely used in computational chemistry. There are worked examples and problem sets to provide plenty of practise material to build proficiency. We also include insights from real students, which identify common problem areas and provide the prompts that helped them to overcome these. Chemistry Student Guides are written with current students involved at every stage, guiding the books towards the most challenging aspects of the topic.

This volume combines reviews on the latest advances in photochemical research with specific topical highlights in the field. Starting with periodical reports of the recent literature on organic and computational aspects including reports on computational photochemistry and chemiluminescence of biological and nanotechnological molecules, photochemistry of alkenes, dienes and polyenes, aromatic compounds and oxygen-containing functions. The final chapter of this section is a review of industrial application of photochemistry from 2014 to 2019. Coverage continues with highlighted topics, in the second part, from ruthenium-caged bioactive compounds, advances in logically and light induced systems, developments of metal-free photocatalysts, photoresponsive organophosphorus materials and applications of photo-fragmentation in synthesis, photo-click chemistry and azo-based molecular photoswitches. This volume will again include a section entitled ‘SPR Lectures on Photochemistry', a collection of examples for academic readers to introduce a photochemistry topic and precious help for students in photochemistry. Providing critical analysis of the topics, this book is essential reading for anyone wanting to keep up to date with the literature on photochemistry and its applications.'A certain amount of energy destroys the same amount of CO2 according to the whether it is administered continuously or intermittently. In order to rationalize this result there are two possibilities, either the destruction of CO2 further occurred in the dark periods, which would lead to the same form of energy storing form, or in the illuminated period the reaction goes at twice the rate.'O. Warburg, Biochem. Z., 1919, 100, 230–270.

Electric-field-mediated chemistry is an emerging topic that is rapidly growing and fanning out in many directions. It involves theoretical and experimental aspects, as well as intense interplay between them, including breakthrough achievements such as the proof-of-principle that a Diels–Alder reaction, which involves two simultaneous C–C bond making events, can be catalysed or inhibited simply by changing the direction of an oriented external-electric field (OEEF). This productive interplay between the theoretical and experimental branches of chemistry is continuing, and gradually defining a new sub-field wherein various sources of electric fields, whether external or built-in and designed, or even surface induced fields (plasmons), are brought to bear on chemical reactions, molecular structures, and nano-systems, leading to control of reactivity, selectivity, chirality, molecular orientations, changes in structure, and in dynamics.Written by leaders in the field, Effects of Electric Fields on Structure and Reactivity is the first book on this exciting topic. Starting with an overview of the theory behind – and demonstrations of the effect of – electric fields on structure and reactivity, this accessible reference work aims to encourage those new to the field to consider harnessing these effects in their own work. Covering applications and recent theoretical developments, it is a useful resource for theoretical chemists and experimentalists alike.

The chemistry that occurs within confined spaces is the product of a collection of forces, often beyond the molecule, and is not easily ascribed to singular factors. There is a breadth of material types that can define a confined space (e.g. macrocycles, interlocked molecules, porous and non-porous crystals, organic and inorganic/coordination cages) which are rarely discussed together. Studies of supramolecular entities in the solution and solid states are also not often compared in the same discussion, even though the concepts are often similar or can be easily transferred between the two. Chapters in this book combine classical host-guest chemistry with catalysis, reactivity, and modern supramolecular chemistry. They cover the many different technologies used to describe and understand reactivity in confined spaces in one accessible title.With contributions from leading experts, Reactivity in Confined Spaces will be relevant for graduate students and researchers working in supramolecular chemistry, both organic- and inorganic-based, homogeneous and heterogeneous catalysis, polymer chemistry, and materials science in general.

Energy storage material is a hot topic in material science and chemistry. During the past decade, nuclear magnetic resonance (NMR) has emerged as a powerful tool to aid understanding of the working and failing mechanisms of energy storage materials and devices. The aim of this book is to introduce the use of NMR methods for investigating electrochemical storage materials and devices. Presenting a comprehensive overview of NMR spectroscopy and magnetic resonance imaging (MRI) on energy storage materials, the book will include the theory of paramagnetic interactions and relevant calculation methods, a number of specific NMR approaches developed in the past decade for battery materials (e.g. in situ, ex situ NMR, MRI, DNP, 2D NMR, NMR dynamics) and case studies on a variety of related materials. Helping both NMR spectroscopists entering the field of batteries and battery specialists seeking diagnostic methods for material and device degradation, it is written by leading authorities from international research groups in this field.

This book contains the latest information on all aspects of the most important chemical thermodynamic properties of Gibbs energy and Helmholtz energy, as related to fluids. Both the Gibbs energy and Helmholtz energy are very important in the fields of thermodynamics and material properties as many other properties are obtained from the temperature or pressure dependence. Bringing all the information into one authoritative survey, the book is written by acknowledged world experts in their respective fields. Each of the chapters will cover theory, experimental methods and techniques and results for all types of liquids and vapours. This book is the fourth in the series of Thermodynamic Properties related to liquids, solutions and vapours, edited by Emmerich Wilhelm and Trevor Letcher. The previous books were: Heat Capacities (2010), Volume Properties (2015), and Enthalpy (2017). This book fills the gap in fundamental thermodynamic properties and is the last in the series.

Photochemistry is an important facet in the study of the origin of life and prebiotic chemistry. Solar photons are the unique source of the large amounts of energy likely required to initiate the organisation of matter to produce biological life. The Miller–Urey experiment simulated the conditions thought to be present on the early earth and supported the hypothesis that under such conditions complex organic compounds could be synthesised from simpler inorganic precursors. The experiment inspired many others, including the production of various alcohols, aldehydes and organic acids through UV-photolysis of water vapour with carbon monoxide. This book covers the photochemical aspects of the study of prebiotic and origin of life chemistry an ideal companion for postgraduates and researchers in prebiotic chemistry, photochemistry, photobiology, chemical biology and astrochemistry.

The chemistry of nanomaterials has developed considerably in the past two decades, and concepts that have emerged from these developments are now well established. The surface modification of nanoparticles is a subject of intense research interest given its importance for many applications across a number of disciplines. This comprehensive guide is the first to be devoted to the surface chemistry of inorganic nanocrystals. Following an introduction to the physical chemistry of surfaces, chapters cover topics such as the surface modification of nanoparticles, water compatible, polymer-based, and inorganic nanocomposites, as well as relevant applications in catalysis, biotechnology and nanomedicine. Highlighting recent advances, Surface Chemistry of Colloidal Nanocrystals provides an integrated approach to chemical aspects related to the surface of nanocrystals. Written by prestigious scientists, this will be a useful resource for students and researchers working in surface science, nanoscience and materials science as well as those interested in the applications of the nanomaterials in areas such as health science, biology, and environmental engineering.

Porphyrin-based Supramolecular Architectures focuses on the most recent developments in the field, emphasizing the cutting-edge research in a diverse range of applications. Designed for readers considering the unprecedented prosperity of porous materials research, chapters will cover both strategies for structure design (such as MOFs and COFs) as well as emerging applications including CO2 fixation, catalysis and photodynamic therapy. With contributions from global experts, this title will be of interest to graduate students and researchers in supramolecular chemistry, organic chemistry, inorganic chemistry, physical chemistry, organometallic chemistry, solid-state chemistry, catalysis and (porous) materials science.

This volume looks at modern approaches to catalysis and reviews the extensive literature. Chapters highlight application of 2D materials in biomass conversion catalysis, plasmonic photocatalysis, catalytic demonstration of mesoporosity in the hierarchical zeolite and the effect of surface phase oxides on supported metals and catalysis. Looking to the future a chapter on ab initio machine learning for accelerating catalytic materials discovery is included. Appealing broadly to researchers in academia and industry, these illustrative chapters bridge the gap from academic studies in the laboratory to practical applications in industry not only for catalysis field but also for environmental protection. Other chapters with an industrial perspective include heterogeneous and homogeneous catalytic routes for vinyl acetate synthesis, catalysis for production of jet fuel from renewable sources by HDO/HDC and microwave-assisted catalysis for fuel conversion. Chemical reactions in ball mills is also explored. The book will be of great benefit to any researcher wanting a succinct reference on developments in this area now and looking to the future.

Quantum tunnelling is one of the strangest phenomena in chemistry, where we see the wave nature of atoms acting in “impossible” ways. By letting molecules pass through the kinetic barrier instead of over it, this effect can lead to chemical reactions even close to the absolute zero, to atypical spectroscopic observations, to bizarre selectivity, or to colossal isotopic effects. Quantum mechanical tunnelling observations might be infrequent in chemistry, but it permeates through all its disciplines producing remarkable chemical outcomes. For that reason, the 21st century has seen a great increase in theoretical and experimental findings involving molecular tunnelling effects, as well as in novel techniques that permit their accurate predictions and analysis. Including experimental, computational and theoretical chapters, from the physical and organic to the biochemistry fields, from the applied to the academic arenas, this new book provides a broad and conceptual perspective on tunnelling reactions and how to study them. Quantum Tunnelling in Molecules is the obligatory stop for both the specialist and those new to this world.

Vanadium is one of the more abundant elements in the Earth's crust and exhibits a wide range of oxidation states in its compounds making it potentially a more sustainable and more economical choice as a catalyst than the noble metals. A wide variety of reactions have been found to be catalysed by homogeneous, supported and heterogeneous vanadium complexes and the number of applications is growing fast. Bringing together the research on the catalytic uses of this element into one essential resource, including theoretical perspectives on proposed mechanisms for vanadium catalysis and an overview of its relevance in biological processes, this book is a useful reference for industrial and academic chemists alike.

Polymers with redox properties are electroactive macromolecules containing localized sites or groups that can be oxidized and reduced. Depending on the oxidation state, redox polymers can present different electronic, optical, mechanical or chemical properties. These polymers are finding new applications in materials science, as well as being included in the design of a number of electrochemical devices. Redox Polymers for Energy and Nanomedicine highlights trends in the chemistry, characterization and application of polymers with redox properties. The book starts with an introduction to redox polymers and covers several important topics including redox polymer types, state-of-the-art characterization techniques, synthetic strategies and theory and computational studies. The second part is devoted to the redox polymers applied in energy and nanomedicine. First, the most important redox polymer families in energy storage are reviewed, i.e, radical, phenothiazine, carbonyl and catechol containing polymers. The book also contains recent developments in redox polymers for biofuel cells and all-organic batteries. Second, the emerging applications of redox polymers in nanomedicine technologies such as, tissue engineering, drug-delivery, actuators or biosensors are explained in detail. With contributions from global experts, the book will be of interest to graduate students and researchers working in polymer science, electrochemistry, energy research and nanomedicine.

CO2-responsive materials are a relatively recent innovation. In general, stimuli-responsive materials exhibit reversible changes in their physical or chemical properties in response to external triggers such as temperature, pH, light, or voltage. However, there are often limitations in applying these triggers including economic and environmental costs, and product contamination. The realization that CO2 can be used as an effective trigger for stimulating changes in material properties has prompted a surge in interest in this area within the past few years, with numerous new studies currently underway in several countries. CO2 is an ideal trigger for switchable or stimuli-responsive materials because it is benign, inexpensive, green, abundant, and does not accumulate in the system. Many different CO2-responsive materials including polymers, latexes, solvents, solutes, gels, surfactants, and catalysts have been prepared. Summarizing recent progress in the preparation, self-assembly, and functional applications of CO2-responsive materials, this book explores the physical chemistry of CO2-switching, including constraints on structural design and process conditions, together with applications. With emphasis on the environmental, health, and safety advantages and disadvantages compared to conventional materials, it is ideal for researchers and industrialists working in green chemistry, chemical engineering, and polymer chemistry.

Smart materials are of significant interest and this is the first textbook to provide a comprehensive graduate level view of topics that relate to this field. Fundamentals of Smart Materials consists of a workbook and solutions manual covering the basics of different functional material systems aimed at advanced undergraduate and postgraduate students. Topics include piezoelectric materials, magnetostrictive materials, shape memory alloys, mechanochromic materials, thermochromic materials, chemomechanical polymers and self-healing materials. Each chapter provides an introduction to the material, its applications and uses with example problems, fabrication and manufacturing techniques, conclusions, homework problems and a bibliography. Edited by a leading researcher in smart materials, the textbook can be adopted by teachers in materials science and engineering, chemistry, physics and chemical engineering.

Heterogeneous catalysis plays a central role in the global energy paradigm, with practically all energy-related process relying on a catalyst at a certain point. The application of heterogeneous catalysts will be of paramount importance to achieve the transition towards low carbon and sustainable societies. This book provides an overview of the design, limitations and challenges of heterogeneous catalysts for energy applications. In an attempt to cover a broad spectrum of scenarios, the book considers traditional processes linked to fossil fuels such as reforming and hydrocracking, as well as catalysis for sustainable energy applications such as hydrogen production, photocatalysis, biomass upgrading and conversion of CO2 to clean fuels. Novel approaches in catalysts design are covered, including microchannel reactors and structured catalysts, catalytic membranes and ionic liquids. With contributions from leaders in the field, Heterogeneous Catalysis for Energy Applications will be an essential toolkit for chemists, physicists, chemical engineers and industrials working on energy.

London dispersion interactions are responsible for numerous phenomena in physics, chemistry and biology. Recent years have seen the development of new, physically well-founded models, and dispersion-corrected density functional theory (DFT) is now a hot topic of research. This book is an overview of current understanding of the physical origin and modelling of London dispersion forces manifested at an atomic level. It covers a wide range of system, from small intermolecular complexes, to organic molecules and crystalline solids, through to biological macromolecules and nanostructures. In presenting a broad overview of the of the physical foundations of dispersion forces, the book provides theoretical, physical and synthetic chemists, as well as solid-state physicists, with a systematic understanding of the origins and consequences of these ubiquitous interactions. The presentation is designed to be accessible to anyone with intermediate undergraduate mathematics, physics and chemistry.

Academic and industrial research around polymer-based colloids is huge, driven both by the development of mature technologies, e.g. latexes for coatings, as well as the advancement of new materials and applications, such as building blocks for 2D/3D structures and medicine. Edited by two world-renowned leaders in polymer science and engineering, this is a fundamental text for the field. Based on a specialised course by the editors, this book provides the reader with an invaluable single source of reference. The first section describes formation, explaining basic properties of emulsions and dispersion polymerization, microfluidic approaches to produce polymer-based colloids and formation via directed self-assembly. The next section details characterisation methodologies from microscopy and small angle scattering, to surface science and simulations. The final chapters close with applications, including Pickering emulsions and molecular engineering for materials development. A comprehensive guide to polymer colloids, with contributions by leaders in their respective areas, this book is a must-have for researchers and practitioners working across polymers, soft matter and chemical and molecular engineering.

Chemical modelling covers a wide range of disciplines and this book is the first stop for any materials scientist, biochemist, chemist or molecular physicist wishing to acquaint themselves with major developments in the applications and theory of chemical modelling. Containing both comprehensive and critical reviews, it is a convenient reference to the current literature. Coverage includes, but is not limited to, isomerism in polyoxometalate chemistry, modelling molecular magnets, molecular modelling of cyclodextrin inclusion complexes and graphene nanoribbons heterojunctions.