Cambridge Molecular Science – serie

This rigorous yet accessible guide presents a molecular-based description of nonlinear optical polarization analysis of chemical and biological assemblies. It includes discussion of the most common nonlinear optical microscopy and interfacial measurements used for quantitative analysis, specifically second harmonic generation (SHG), two-photon excited fluorescence (2PEF), vibrational sum frequency generation (SFG), and coherent anti-Stokes Raman spectroscopy/stimulated Raman spectroscopy (CARS/SRS). A linear algebra mathematical framework is developed, allowing step-wise systematic connections to be made between the observable measurements and the molecular response. Effects considered include local field corrections, the molecular orientation distribution, rotations between the molecular frame, the local frame and the laboratory frame, and simplifications from molecular and macromolecular symmetry. Specific examples are provided throughout the book, working from the common and relatively simple case studies through to the most general scenarios.

Written to be the definitive text on the rotational spectroscopy of diatomic molecules, this book develops the theory behind the energy levels of diatomic molecules and then summarises the many experimental methods used to study their spectra in the gaseous state. After a general introduction, the methods used to separate nuclear and electronic motions are described. Brown and Carrington then show how the fundamental Dirac and Breit equations may be developed to provide comprehensive descriptions of the kinetic and potential energy terms which govern the behaviour of the electrons. One chapter is devoted solely to angular momentum theory and another describes the development of the so-called effective Hamiltonians used to analyse and understand the experimental spectra of diatomic molecules. The remainder of the book concentrates on experimental methods. This book will be of interest to graduate students and researchers interested in the rotational spectroscopy of diatomic molecules.

Molecular Rydberg states have many unusual properties, lending themselves to a diverse range of experimental applications. This book is designed to unravel the mysteries of molecular Rydberg states that lie beyond the scope of accepted spectroscopic theories. It is the first single-authored text to focus on the application of multi-channel quantum defect theory (MQDT) and ab initio theory to this special class of molecular systems, introducing readers to novel theoretical techniques. The scattering techniques of MQDT are examined, along with a unified description of bound states and fragmentation dynamics. Connections with established spectroscopic theory are also described. The book concludes with an account of the spherical tensor and density matrix theories required for the interpretation of multi-photon experiments. While the main text focuses on physical principles and experimental applications, appendices are used to handle advanced mathematical detail. This is a valuable resource for researchers in chemical, atomic and molecular physics.

Translational motion in solution, either diffusion or fluid flow, is at the heart of chemical and biochemical reactivity. Nuclear Magnetic Resonance (NMR) provides a powerful non-invasive technique for studying the phenomena using magnetic field gradient methods. Describing the physical basis of measurement techniques, with particular emphasis on diffusion, balancing theory with experimental observations and assuming little mathematical knowledge, this is a strong, yet accessible, introduction to the field. A detailed discussion of magnetic field gradient methods applied to Magnetic Resonance Imaging (MRI) is included, alongside extensive referencing throughout, providing a timely, definitive book to the subject, ideal for researchers in the fields of physics, chemistry and biology.

The study of energy landscapes holds the key to resolving some of the most important contemporary problems in chemical physics. Many groups are now attempting to understand the properties of clusters, glasses and proteins in terms of the underlying potential energy surface. The aim of this book is to define and unify the field of energy landscapes in a reasonably self-contained exposition. This is the first book to cover this active field. The book begins with an overview of each area in an attempt to make the subject matter accessible to workers in different disciplines. The basic theoretical groundwork for describing and exploring energy landscapes is then introduced followed by applications to clusters, biomolecules and glasses in the final chapters. Beautifully illustrated in full colour throughout, this book is aimed at graduate students and workers in the field.

Written by two leading experts in the field, this book explores the 'many-body' methods that have become the dominant approach in determining molecular structure, properties and interactions. With a tight focus on the highly popular Many-Body Perturbation Theory (MBPT) and Coupled-Cluster theories (CC), the authors present a simple, clear, unified approach to describe the mathematical tools and diagrammatic techniques employed. Using this book the reader will be able to understand, derive and confidently implement relevant algebraic equations for current and even new multi-reference CC methods. Hundreds of diagrams throughout the book enhance reader understanding through visualization of computational procedures and extensive referencing allows further exploration of this evolving area. With an extensive bibliography and detailed index, this book will be suitable for graduates and researchers within quantum chemistry, chemical physics and atomic, molecular and solid-state physics.

Dissociative recombination (DR) of molecular ions with electrons is a complex, poorly understood molecular process. Its critical role as a neutralising agent in the Earth's upper atmosphere is now well established and its occurrence in many natural and laboratory-produced plasma has been a strong motivation for studying the event. In this book theoretical concepts, experimental methodology and applications are united, revealing the governing principles behind the gas-phase reaction. The book takes the reader through the intellectual challenges posed, describing in detail dissociation mechanisms, dynamics, diatomic and polyatomic ions and related processes, including dissociative excitation, ion pair formation and photodissociation. With the final chapter dedicated to applications in astrophysics, atmospheric science, plasma physics and fusion research, this is a focused, definitive guide to a fundamental molecular process. The book will appeal to academics within physics, physical chemistry and related sciences.

Clusters can be viewed as solids at the nano-scale, yet molecular cluster chemistry and solid state chemistry have traditionally been considered as separate topics. This treatment has made it conceptually difficult to appreciate commonalities of structure and bonding between the two. Using analogous models, this is the first book to form a connecting bridge. Although the focus is on clusters, sufficient attention is paid to solid-state compounds at each stage of the development to establish the interrelationship between the two topics. Comprehensive coverage of cluster types by composition, size and ligation, is provided, as is a synopsis of selected research. Written in an accessible style and highly illustrated to aid understanding, this book is suitable for researchers in inorganic chemistry, physical chemistry, materials science, and condensed matter physics.

Challenging the cherished notions of colloidal theory, Barry Ninham and Pierandrea Lo Nostro confront the scientific lore of molecular forces and colloidal science in an incisive and thought-provoking manner. The authors explain the development of these classical theories, discussing amongst other topics electrostatic forces in electrolytes, specific ion effects and hydrophobic interactions. Throughout the book they question assumptions, unearth flaws and present new results and ideas. From such analysis, a qualitative and predictive framework for the field emerges; the impact of this is discussed in the latter half of the book through force behaviour in self assembly. Here, numerous diverse phenomena are explained, from surfactants to biological applications, all richly illustrated with pertinent, intellectually stimulating examples. With mathematics kept to a minimum, and historic facts and anecdotes woven through the text, this is a highly engaging and readable treatment for students and researchers in science and engineering.

Focusing on how conjugated polymers can be designed and made for use in efficient organic electronic devices, this book covers the tools for future development of more environmentally and economically friendly devices. Including examples of interdisciplinary science, it exemplifies how chemists and physicists work together to enable the design and synthesis of high-performance material in devices, allowing polymer-based electronic devices to become viable commercial products. It provides the main classes of conjugated polymers and their applications in organic electronic devices such as transistors, light-emitting diodes, and solar cells, making this a comprehensive introduction. This complete guide includes the methods for making conjugated polymers, the properties and specific structures that make them suitable for use, and how their synthesis can be optimised to improve device performance. Written by experts in the field, this is the ideal guide for researchers and practitioners across materials science, physics, chemistry, and electrical engineering.

Building up from microscopic basics to observed complex functions, this insightful monograph explains and describes how the unique molecular properties of water give rise to its structural and dynamical behaviour which in turn translates into its role in biological and chemical processes. The discussion of the biological functions of water details not only the stabilising effect of water in proteins and DNA, but also the direct role that water molecules themselves play in biochemical processes, such as enzyme kinetics, protein synthesis and drug-DNA interaction. The overview of the behaviour of water in chemical systems discusses hydrophilic, hydrophobic and amphiphilic effects, as well as the interactions of water with micelles, reverse micelles, microemulsions and carbon nanotubes. Supported by extensive experimental and computer simulation data, highlighting many of the recent advances in the study of water in complex systems, this is an ideal resource for anyone studying water at the molecular level.

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.