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This book describes fundamental theory and recent advances of sum frequency generation (SFG) spectroscopy. SFG spectroscopy is widely used as a powerful tool of surface characterization, although theoretical interpretation of the obtained spectra has been a major bottleneck for most users. Recent advances in SFG theory have brought about a breakthrough in the analysis methods beyond conventional empirical ones, and molecular dynamics (MD) simulation of SFG spectroscopy allows for simultaneous understanding of observed spectra and interface structure in unprecedented detail. This book explains these recently understood theoretical aspects of SFG spectroscopy by the major developer of the theory. The theoretical topics are treated at basic levels for undergraduate students and are described in relation to computational chemistry, such as molecular modeling and MD simulation, toward close collaboration of SFG spectroscopy and computational chemistry in the near future.
This book focuses on the study of the interfacial water using molecular dynamics simulation and experimental sum frequency generation spectroscopy. It proposes a new definition of the free O-H groups at water-air interface and presents research on the structure and dynamics of these groups. Furthermore, it discusses the exponential decay nature of the orientation distribution of the free O-H groups of interfacial water and ascribes the origin of the down pointing free O-H groups to the presence of capillary waves on the surface. It also describes how, based on this new definition, a maximum surface H-bond density of around 200 K at ice surface was found, as the maximum results from two competing effects. Lastly, the book discusses the absorption of water molecules at the water–TiO2 interface. Providing insights into the combination of molecular dynamics simulation and experimental sum frequency generation spectroscopy, it is a valuable resource for researchers in the field.
Specific ion effects are important in numerous fields of science and technology. This book summarizes the main ideas that came up over the years. It presents the efforts of theoreticians and supports it by the experimental results stemming from various techniques.
The first book on the topic, and written by the founder of the technique, this comprehensive resource provides a detailed overview of sum-frequency spectroscopy, its fundamental principles, and the wide range of applications for surfaces, interfaces, and bulk. Beginning with an overview of the historical context, and introductions to the basic theory of nonlinear optics and surface sum-frequency generation, topics covered include discussion of different experimental arrangements adopted by researchers, notes on proper data analysis, an up-to-date survey commenting on the wide range of successful applications of the tool, and a valuable insight into current unsolved problems and potential areas to be explored in the future. With the addition of chapter appendices that offer the opportunity for more in-depth theoretical discussion, this is an essential resource that integrates all aspects of the subject and is ideal for anyone using, or interested in using, sum-frequency spectroscopy.
This book embraces all physiochemical aspects of the structure and molecular dynamics of water, focusing on its role in biological objects, e.g. living cells and tissue, and in the formation of functionally active structures of biological molecules and their ensembles. Water is the single most abundant chemical found in all living things. It offers a detailed look into the latest modern physical methods for studying the molecular structure and dynamics of the water and provides a critical analysis of the existing literature data on the properties of water in biological objects. Water as a chemical reagent and as a medium for the formation of conditions for enzymatic catalysis is a core focus of this book. Although well suited for active researchers, the book as a whole, as well as each chapter on its own, can be used as fundamental reference material for graduate and undergraduate students throughout chemistry, physics, biophysics and biomedicine.
Molecular and Laser Spectroscopy, Advances and Applications: Volume 2 gives students and researchers an up-to-date understanding of the fast-developing area of molecular and laser spectroscopy. This book covers basic principles and advances in several conventional as well as new and upcoming areas of molecular and laser spectroscopy, such as a wide range of applications in medical science, material science, standoff detection, defence and security, chemicals and pharmaceuticals, and environmental science. It covers the latest advancements, both in terms of techniques and applications, and highlights future projections. Editors V.P. Gupta and Yukihiro Ozaki have brought together eminent scientists in different areas of spectroscopy to develop specialized topics in conventional molecular spectroscopy (Cavity ringdown, Matrix Isolation, Intense THz, Far- and Deep- UV, Optogalvanic ), linear and nonlinear laser spectroscopy (Rayleigh & Raman Scattering), Ultrafast Time-resolved spectroscopy, and medical applications of molecular spectroscopy. and advanced material found in research articles. This new volume expands upon the topics covered in the first volume for scientists to learn the latest techniques and put them to practical use in their work. - Covers several areas of spectroscopy research and expands upon topics covered in the first volume - Includes exhaustive lists of research articles, reviews, and books at the end of each chapter to further learning objectives - Uses illustrative examples of the varied applications to provide a practical guide to those interested in using molecular and laser spectroscopy tools in their research
Encyclopedia of Interfacial Chemistry: Surface Science and Electrochemistry, Seven Volume Set summarizes current, fundamental knowledge of interfacial chemistry, bringing readers the latest developments in the field. As the chemical and physical properties and processes at solid and liquid interfaces are the scientific basis of so many technologies which enhance our lives and create new opportunities, its important to highlight how these technologies enable the design and optimization of functional materials for heterogeneous and electro-catalysts in food production, pollution control, energy conversion and storage, medical applications requiring biocompatibility, drug delivery, and more. This book provides an interdisciplinary view that lies at the intersection of these fields. Presents fundamental knowledge of interfacial chemistry, surface science and electrochemistry and provides cutting-edge research from academics and practitioners across various fields and global regions
Clarifying chemical processes in the environment is tantamount to creating a better and a safer planet. The chemistry that takes place within the natural world occurs not only in the bulk gaseous, liquid, and solid phases, but also in the region where two phases meet. This molecularly thin region between phases, also known as an interface, plays a significant role in various chemical processes because interfaces are ubiquitous in nature. Despite the significance of interfacial processes in environmental chemistry, investigating environmental interfaces experimentally has always been a challenge. Recent advances in nonlinear spectroscopy (NLS) have demonstrated that techniques such as sum frequency generation (SFG) and second harmonic generation (SHG) are unique in their ability to probe buried chemical interfaces. The theoretical and practical aspect of these techniques in probing environmental interfaces is the primary focus of this e-book. This e-book is geared toward curious and inquisitive minds eager to learn how molecules behave at the thin layers of chemical interfaces. A beautiful world, rich in unique insights into the interfacial environmental processes, awaits.
This book will fulfill the needs of time-domain spectroscopists who wish to deepen their understanding of both the theoretical and experimental features of this cutting-edge spectroscopy technique. Coherent Multidimensional Spectroscopy (CMDS) is a state-of-the-art technique with applications in a variety of subjects like chemistry, molecular physics, biochemistry, biophysics, and material science. Due to dramatic advancements of ultrafast laser technologies, diverse multidimensional spectroscopic methods utilizing combinations of THz, IR, visible, UV, and X-ray radiation sources have been developed and used to study real time dynamics of small molecules in solutions, proteins and nucleic acids in condensed phases and membranes, single and multiple excitons in functional materials like semiconductors, quantum dots, and solar cells, photo-excited states in light-harvesting complexes, ions in battery electrolytes, electronic and conformational changes in charge or proton transfer systems, and excess electrons and protons in water and biological systems.
Update your knowledge of the chemical, biological, and physical properties of liquid-liquid interfaces with Liquid-Liquid Interfaces: Theory and Methods. This valuable reference presents a broadly based account of current research in liquid-liquid interfaces and is ideal for researchers, teachers, and students. Internationally recognized investigators of electrochemical, biological, and photochemical effects in interfacial phenomena share their own research results and extensively review the results of others working in their area. Because of its unusually wide breadth, this book has something for everyone interested in liquid-liquid interfaces. Topics include interfacial and phase transfer catalysis, electrochemistry and colloidal chemistry, ion and electron transport processes, molecular dynamics, electroanalysis, liquid membranes, emulsions, pharmacology, and artificial photosynthesis. Enlightening discussions explore biotechnological applications, such as drug delivery, separation and purification of nuclear waste, catalysis, mineral extraction processes, and the manufacturing of biosensors and ion-selective electrodes. Liquid-Liquid Interfaces: Theory and Methods is a well-written, informative, one-stop resource that will save you time and energy in your search for the latest information on liquid-liquid interfaces.