The field of isotope effects has expanded exponentially in the last decade, and researchers are finding isotopes increasingly useful in their studies. Bringing literature on the subject up to date, Isotope Effects in Chemistry and Biology covers current principles, methods, and a broad range of applications of isotope effects in the physical, biolo
Electron transfer is the most important process to take place in natural and artificial chemical systems, playing a fundamental role, for example, in photosynthesis as well as in photography. Electron transfer reactions - oxidations and reductions - are involved in, among others, a variety of energy conversion processes, analytical methods, synthetic strategies, and information processing systems. This five-volume work is the only comprehensive yet up-to-date reference on electron transfer processes. Following a foreword by Nobel prize-winner R. A. Marcus, renowned experts from all over the world provide an interdisciplinary overview of every aspect of electron transfer including theoretical-physicochemical backgrounds, latest analytical techniques to identify, monitor and measure the rate of electron transfer, utilizing electron transfer reactions in organic synthesis and catalysis, electron transfer in the gas phase or in special heterogeneous systems such as zeolites or sensitized electrodes. Other central issues are the study of biological systems and the biomimetic electron transfer processes in artificial supramolecular systems. Finally, a complete volume is dedicated to the application of electron transfer in molecular-level electronics, imaging processes and energy conversion. Each chapter is complemented by numerous tables, formulae and illustrations providing an indispensable wealth of information. All references are cross-indexed throughout the work for easy access to this highly complex topic. Whether for quickly looking-up a keyword or as a thorough introduction to a special aspect, this is an essential handbook for everyone working in the field, from experts to postgraduates, from synthetic chemists, physicochemists or biochemists to research groups in material sciences.
Organic Chemistry, Volume 22: Catenanes, Rotaxanes, and Knots provides information pertinent to the synthesis of catenanes and rotaxanes. This book discusses the manner of interaction between the molecular subunits in catenanes in the solid, liquid, and gaseous states. Organized into 19 chapters, this volume begins with an overview of the idea of synthesizing molecules composed of separate entities that are mechanically connected to one another. This text then examines the stereochemistry and the other physical and chemical properties related to the mechanical connections in these compounds. Other chapters consider the determination of the absolute configuration of catenanes by extension of the Cahn–Ingold–Prelog rules. This book discusses as well the bond that mechanically connects the catenated rings. The final chapter deals with the model studies of the synthesis of knots, double wound rotaxanes, and higher linear catenanes. This book is a valuable resource for chemists, students, and research workers.
Atomic-Scale Modelling of Electrochemical Systems A comprehensive overview of atomistic computational electrochemistry, discussing methods, implementation, and state-of-the-art applications in the field The first book to review state-of-the-art computational and theoretical methods for modelling, understanding, and predicting the properties of electrochemical interfaces. This book presents a detailed description of the current methods, their background, limitations, and use for addressing the electrochemical interface and reactions. It also highlights several applications in electrocatalysis and electrochemistry. Atomic-Scale Modelling of Electrochemical Systems discusses different ways of including the electrode potential in the computational setup and fixed potential calculations within the framework of grand canonical density functional theory. It examines classical and quantum mechanical models for the solid-liquid interface and formation of an electrochemical double-layer using molecular dynamics and/or continuum descriptions. A thermodynamic description of the interface and reactions taking place at the interface as a function of the electrode potential is provided, as are novel ways to describe rates of heterogeneous electron transfer, proton-coupled electron transfer, and other electrocatalytic reactions. The book also covers multiscale modelling, where atomic level information is used for predicting experimental observables to enable direct comparison with experiments, to rationalize experimental results, and to predict the following electrochemical performance. Uniquely explains how to understand, predict, and optimize the properties and reactivity of electrochemical interfaces starting from the atomic scale Uses an engaging “tutorial style” presentation, highlighting a solid physicochemical background, computational implementation, and applications for different methods, including merits and limitations Bridges the gap between experimental electrochemistry and computational atomistic modelling Written by a team of experts within the field of computational electrochemistry and the wider computational condensed matter community, this book serves as an introduction to the subject for readers entering the field of atom-level electrochemical modeling, while also serving as an invaluable reference for advanced practitioners already working in the field.
Electrochemistry plays a key role in a broad range of research and applied areas including the exploration of new inorganic and organic compounds, biochemical and biological systems, corrosion, energy applications involving fuel cells and solar cells, and nanoscale investigations. The Handbook of Electrochemistry serves as a source of electrochemical information, providing details of experimental considerations, representative calculations, and illustrations of the possibilities available in electrochemical experimentation. The book is divided into five parts: Fundamentals, Laboratory Practical, Techniques, Applications, and Data. The first section covers the fundamentals of electrochemistry which are essential for everyone working in the field, presenting an overview of electrochemical conventions, terminology, fundamental equations, and electrochemical cells, experiments, literature, textbooks, and specialized books. Part 2 focuses on the different laboratory aspects of electrochemistry which is followed by a review of the various electrochemical techniques ranging from classical experiments to scanning electrochemical microscopy, electrogenerated chemiluminesence and spectroelectrochemistry. Applications of electrochemistry include electrode kinetic determinations, unique aspects of metal deposition, and electrochemistry in small places and at novel interfaces and these are detailed in Part 4. The remaining three chapters provide useful electrochemical data and information involving electrode potentials, diffusion coefficients, and methods used in measuring liquid junction potentials. * serves as a source of electrochemical information * includes useful electrochemical data and information involving electrode potentials, diffusion coefficients, and methods used in measuring liquid junction potentials * reviews electrochemical techniques (incl. scanning electrochemical microscopy, electrogenerated chemiluminesence and spectroelectrochemistry)
Reaction Rate Theory and Rare Events bridges the historical gap between these subjects because the increasingly multidisciplinary nature of scientific research often requires an understanding of both reaction rate theory and the theory of other rare events. The book discusses collision theory, transition state theory, RRKM theory, catalysis, diffusion limited kinetics, mean first passage times, Kramers theory, Grote-Hynes theory, transition path theory, non-adiabatic reactions, electron transfer, and topics from reaction network analysis. It is an essential reference for students, professors and scientists who use reaction rate theory or the theory of rare events. In addition, the book discusses transition state search algorithms, tunneling corrections, transmission coefficients, microkinetic models, kinetic Monte Carlo, transition path sampling, and importance sampling methods. The unified treatment in this book explains why chemical reactions and other rare events, while having many common theoretical foundations, often require very different computational modeling strategies. - Offers an integrated approach to all simulation theories and reaction network analysis, a unique approach not found elsewhere - Gives algorithms in pseudocode for using molecular simulation and computational chemistry methods in studies of rare events - Uses graphics and explicit examples to explain concepts - Includes problem sets developed and tested in a course range from pen-and-paper theoretical problems, to computational exercises
Focusing on the basic principles of semiconductor photocatalysis, this book also gives a brief introduction to photochemistry, photoelectrochemistry, and homogeneous photocatalysis. In addition, the author - one of the leading authorities in the field - presents important environmental and practical aspects. A valuable, one-stop source for all chemists, material scientists, and physicists working in this area, as well as novice researchers entering semiconductor photocatalysis.
Organic Redox Chemistry Explore the most recent advancements and synthesis applications in redox chemistry Redox chemistry has emerged as a crucial research topic in synthetic method development. In Organic Redox Chemistry: Chemical, Photochemical and Electrochemical Syntheses, some key researchers in this field, including editors Dr. Frédéric W. Patureau and the late Dr. Jun-Ichi Yoshida, deliver an insightful exploration of this rapidly developing topic. This book highlights electron transfer processes in synthesis by using different techniques to initiate them, allowing for a multi-directional perspective in organic redox chemistry. Covering a wide array of the important and recent developments in the field, Organic Redox Chemistry will earn a place in the libraries of chemists seeking a one-stop resource that compares chemical, photochemical, and electrochemical methods in organic synthesis.
Catalysis in Electrochemistry: From Fundamental Aspects to Strategies for Fuel Cell Development is a modern, comprehensive reference work on catalysis in electrochemistry, including principles, methods, strategies, and applications. It points out differences between catalysis at gas/surfaces and electrochemical interfaces, along with the future possibilities and impact of electrochemical science on energy problems. This book contributes both to fundamental science; experience in the design, preparation, and characterization of electrocatalytic materials; and the industrial application of electrocatalytic materials for electrochemical reactions. This is an essential resource for scientists globally in academia, industry, and government institutions.
