Condensed-Phase Molecular Spectroscopy and Photophysics

A guide to the theoretical and computational toolkits for the modern study of molecular kinetics in condensed phases Molecular Kinetics in Condensed Phases: Theory, Simulation and Analysis puts the focus on the theory, algorithms, simulations methods and analysis of molecular kinetics in condensed phases. The authors – noted experts on the topic – offer a detailed and thorough description of modern theories and simulation methods to model molecular events. They highlight the rigorous stochastic modelling of molecular processes and the use of mathematical models to reproduce experimental observations, such as rate coefficients, mean first passage times and transition path times. The book’s exploration of simulations examines atomically detailed modelling of molecules in action and the connections of these simulations to theory and experiment. The authors also explore the applications that range from simple intuitive examples of one- and two-dimensional systems to complex solvated macromolecules. This important book: Offers an introduction to the topic that combines theory, simulation and analysis Presents a guide written by authors that are well-known and highly regarded leaders in their fields Contains detailed examples and explanation of how to conduct computer simulations of kinetics. A detailed study of a two-dimensional system and of a solvated peptide are discussed. Discusses modern developments in the field and explains their connection to the more traditional concepts in chemical dynamics Written for students and academic researchers in the fields of chemical kinetics, chemistry, computational statistical mechanics, biophysics and computational biology, Molecular Kinetics in Condensed Phases is the authoritative guide to the theoretical and computational toolkits for the study of molecular kinetics in condensed phases.

A concise textbook bridging quantum theory and spectroscopy! Designed as a practical text, Quantum Mechanical Foundations of Molecular Spectroscopy covers the quantum mechanical fundamentals of molecular spectroscopy from the view of a professional spectroscopist, rather than a theoretician. Written by a noted expert on the topic, the book puts the emphasis on the relationship between spectroscopy and quantum mechanics, and provides the background information and derivations of the subjects needed to understand spectroscopy including: stationary energy states, transitions between these states, selection rules, and symmetry. The phenomenal growth of all forms of spectroscopy over the past eight decades has contributed enormously to our understanding of molecular structure and properties. Today spectroscopy covers a broad field including the modern magnetic resonance techniques, non-linear, laser and fiber-based spectroscopy, surface and surface-enhanced spectroscopy, pico- and femtosecond time resolved spectroscopy, and many more. This up-to-date resource discusses several forms of spectroscopy that are used in many fields of science, such as fluorescence, surface spectroscopies, linear and non-linear Raman spectroscopy and spin spectroscopy. This important text: Contains the physics and mathematics needed to understand spectroscopy Explores spectroscopic methods the are widely used in chemistry, biophysics, biology, and materials science Offers a text written by an experienced lecturer and practitioner of spectroscopic methods Includes detailed explanations and worked examples Written for chemistry, biochemistry, material sciences, and physics students, Quantum Mechanical Foundations of Molecular Spectroscopy provides an accessible text for understanding molecular spectroscopy.

This textbook covers the spectrum from basic concepts of photochemistry and photophysics to selected examples of current applications and research. Clearly structured, the first part of the text discusses the formation, properties and reactivity of excited states of inorganic and organic molecules and supramolecular species, as well as experimental techniques. The second part focuses on the photochemical and photophysical processes in nature and artificial systems, using a wealth of examples taken from applications in nature, industry and current research fields, ranging from natural photosynthesis, to photomedicine, polymerizations, photoprotection of materials, holography, luminescence sensors, energy conversion, and storage and sustainability issues. Written by an excellent author team combining scientific experience with didactical writing skills, this is the definitive answer to the needs of students, lecturers and researchers alike going into this interdisciplinary and fast growing field.

Modern Vibrational Spectroscopy and Micro-Spectroscopy: Theory, Instrumentation and Biomedical Applications unites the theory and background of conventional vibrational spectroscopy with the principles of microspectroscopy. It starts with basic theory as it applies to small molecules and then expands it to include the large biomolecules which are the main topic of the book with an emphasis on practical experiments, results analysis and medical and diagnostic applications. This book is unique in that it addresses both the parent spectroscopy and the microspectroscopic aspects in one volume. Part I covers the basic theory, principles and instrumentation of classical vibrational, infrared and Raman spectroscopy. It is aimed at researchers with a background in chemistry and physics, and is presented at the level suitable for first year graduate students. The latter half of Part I is devoted to more novel subjects in vibrational spectroscopy, such as resonance and non-linear Raman effects, vibrational optical activity, time resolved spectroscopy and computational methods. Thus, Part 1 represents a short course into modern vibrational spectroscopy. Part II is devoted in its entirety to applications of vibrational spectroscopic techniques to biophysical and bio-structural research, and the more recent extension of vibrational spectroscopy to microscopic data acquisition. Vibrational microscopy (or microspectroscopy) has opened entirely new avenues toward applications in the biomedical sciences, and has created new research fields collectively referred to as Spectral Cytopathology (SCP) and Spectral Histopathology (SHP). In order to fully exploit the information contained in the micro-spectral datasets, methods of multivariate analysis need to be employed. These methods, along with representative results of both SCP and SHP are presented and discussed in detail in Part II.

From a leading researcher in optical spectroscopy and electronic properties of novel semiconductors comes this much-needed toolbox title to understand the concepts behind the spectroscopy of advanced organic materials and how they work. The book thus provides basic and practical knowledge on material photophysics for planning, carrying out and understanding experiments in spectroscopy. It contains a collection of simple practical rules for data analysis and interpretation, together with a list of experimental techniques, including the latest methods. Each topic is complemented by examples taken from forefront research on nanomaterials, photovoltaics and photonics, and each chapter includes a discussion, examples, topical boxes, tables and figures. The whole is rounded off by a bibliography for further reading, major references and appendixes containing theoretical derivation and numerical code. The result is a quick guide for the spectroscopist who needs to grasp the concept of the experiments.

Provides students and practitioners with a comprehensive understanding of the theory of spectroscopy and the design and use of spectrophotometers In this book, you will learn the fundamental principles underpinning molecular spectroscopy and the connections between those principles and the design of spectrophotometers. Spectroscopy, along with chromatography, mass spectrometry, and electrochemistry, is an important and widely-used analytical technique. Applications of spectroscopy include air quality monitoring, compound identification, and the analysis of paintings and culturally important artifacts. This book introduces students to the fundamentals of molecular spectroscopy – including UV-visible, infrared, fluorescence, and Raman spectroscopy – in an approachable and comprehensive way. It goes beyond the basics of the subject and provides a detailed look at the interplay between theory and practice, making it ideal for courses in quantitative analysis, instrumental analysis, and biochemistry, as well as courses focused solely on spectroscopy. It is also a valuable resource for practitioners working in laboratories who regularly perform spectroscopic analyses. Spectroscopy: Principles and Instrumentation: Provides extensive coverage of principles, instrumentation, and applications of molecular spectroscopy Facilitates a modular approach to teaching and learning about chemical instrumentation Helps students visualize the effects that electromagnetic radiation in different regions of the spectrum has on matter Connects the fundamental theory of the effects of electromagnetic radiation on matter to the design and use of spectrophotometers Features numerous figures and diagrams to facilitate learning Includes several worked examples and companion exercises throughout each chapter so that readers can check their understanding Offers numerous problems at the end of each chapter to allow readers to apply what they have learned Includes case studies that illustrate how spectroscopy is used in practice, including analyzing works of art, studying the kinetics of enzymatic reactions, detecting explosives, and determining the DNA sequence of the human genome Complements Chromatography: Principles and Instrumentation The book is divided into five chapters that cover the Fundamentals of Spectroscopy, UV-visible Spectroscopy, Fluorescence/Luminescence Spectroscopy, Infrared Spectroscopy, and Raman Spectroscopy. Each chapter details the theory upon which the specific techniques are based, provides ways for readers to visualize the molecular-level effects of electromagnetic radiation on matter, describes the design and components of spectrophotometers, discusses applications of each type of spectroscopy, and includes case studies that illustrate specific applications of spectroscopy. Each chapter is divided into multiple sections using headings and subheadings, making it easy for readers to work through the book and to find specific information relevant to their interests. Numerous figures, exercises, worked examples, and end-of-chapter problems reinforce important concepts and facilitate learning. Spectroscopy: Principles and Instrumentation is an excellent text that prepares undergraduate students and practitioners to operate in modern laboratories.

Presents the state of the technology, from fundamentals to new materials and applications Today's electronic devices, computers, solar cells, printing, imaging, copying, and recording technology, to name a few, all owe a debt to our growing understanding of the photophysics and photochemistry of polymeric materials. This book draws together, analyzes, and presents our current understanding of polymer photochemistry and photophysics. In addition to exploring materials, mechanisms, processes, and properties, the handbook also highlights the latest applications in the field and points to new developments on the horizon. Photochemistry and Photophysics of Polymer Materials is divided into seventeen chapters, including: Optical and luminescent properties and applications of metal complex-based polymers Photoinitiators for free radical polymerization reactions Photovoltaic polymer materials Photoimaging and lithographic processes in polymers Photostabilization of polymer materials Photodegradation processes in polymeric materials Each chapter, written by one or more leading experts and pioneers in the field, incorporates all the latest findings and developments as well as the authors' own personal insights and perspectives. References guide readers to the literature for further investigation of individual topics. Together, the contributions represent a series of major developments in the polymer world in which light and its energy have been put to valuable use. Not only does this reference capture our current state of knowledge, but it also provides the foundation for new research and the development of new materials and new applications.

An essential reference for optical sensor system design This is the first text to present an integrated view of the optical and mathematical analysis tools necessary to understand computational optical system design. It presents the foundations of computational optical sensor design with a focus entirely on digital imaging and spectroscopy. It systematically covers: Coded aperture and tomographic imaging Sampling and transformations in optical systems, including wavelets and generalized sampling techniques essential to digital system analysis Geometric, wave, and statistical models of optical fields The basic function of modern optical detectors and focal plane arrays Practical strategies for coherence measurement in imaging system design The sampling theory of digital imaging and spectroscopy for both conventional and emerging compressive and generalized measurement strategies Measurement code design Linear and nonlinear signal estimation The book concludes with a review of numerous design strategies in spectroscopy and imaging and clearly outlines the benefits and limits of each approach, including coded aperture and imaging spectroscopy, resonant and filter-based systems, and integrated design strategies to improve image resolution, depth of field, and field of view. Optical Imaging and Spectroscopy is an indispensable textbook for advanced undergraduate and graduate courses in optical sensor design. In addition to its direct applicability to optical system design, unique perspectives on computational sensor design presented in the text will be of interest for sensor designers in radio and millimeter wave, X-ray, and acoustic systems.

Attenuated Total Reflection (ATR) Spectroscopy is now the most frequently used sampling technique for infrared spectroscopy. This book fully explains the theory and practice of this method. Offers introduction and history of ATR before discussing theoretical aspects Includes informative illustrations and theoretical calculations Discusses many advanced aspects of ATR, such as depth profiling or orientation studies, and particular features of reflectance