Molecular reaction dynamics is the study of chemical and physical transformations of matter at the molecular level. The understanding of how chemical reactions occur and how to control them is fundamental to chemists and interdisciplinary areas such as materials and nanoscience, rational drug design, environmental and astrochemistry. This book provides a thorough foundation to this area. The first half is introductory, detailing experimental techniques for initiating and probing reaction dynamics and the essential insights that have been gained. The second part explores key areas including photoselective chemistry, stereochemistry, chemical reactions in real time and chemical reaction dynamics in solutions and interfaces. Typical of the new challenges are molecular machines, enzyme action and molecular control. With problem sets included, this book is suitable for advanced undergraduate and graduate students, as well as being supplementary to chemical kinetics, physical chemistry, biophysics and materials science courses, and as a primer for practising scientists.
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.
Focusing on one of the most productive areas of modern chemical research, this text describes the molecular-level mechanisms of elementary chemical reactions and presents the contributions of molecular beam and laser techniques. The authors assume a basic familiarity with physical chemistry as they guide the reader from well-known principles to state-of-the-art research results. The goal is an understanding of chemical reactivity and physical rate processes, from the fundamental, microscopic point of view, with emphasis on phenomena and their conceptual interpretation rather than the details of experimental techniques or theories. The authors have collaborated over many years and are the co-authors of the precursor volume Molecular Reaction Dynamics (Oxford University Press, 1974). This completely new work discusses the following topics: dynamics of molecular collisions; intermolecular potentials and potential energy surfaces; molecular and ion beam scattering; "direct" versus "complex" modes of reaction; reagent state selection and product analysis; energy partitioning and surprisal analysis; photofragmentation and multiphoton dissociation; electronic, vibrational, and rotational energy transfer; chemical lasers and laser chemistry; Van der Waals molecules and clusters; and stereospecific dynamics. An appropriate text for advanced courses in kinetics, physical chemistry or chemical physics, and also a timely reference source, Molecular Reaction Dynamics and Chemical Reactivity presents both fundamental principles and the latest developments in this rapidly advancing field.
This book deals with a central topic at the interface of chemistry and physics - the understanding of how the transformation of matter takes place at the atomic level. Building on the laws of physics, the book focuses on the theoretical framework for predicting the outcome of chemical reactions. The style is highly systematic with attention to basic concepts and clarity of presentation. Molecular reaction dynamics is about the detailed atomic-level description of chemical reactions. Based on quantum mechanics and statistical mechanics or, as an approximation, classical mechanics, the dynamics of uni- and bi-molecular elementary reactions are described. The book features a detailed presentation of transition-state theory which plays an important role in practice, and a comprehensive discussion of basic theories of reaction dynamics in condensed phases. Examples and end-of-chapter problems are included in order to illustrate the theory and its connection to chemical problems.
Leading authorities engaged in experimental and theoretical studies of state-selected and state-to-state ion-molecule reaction dynamics present comprehensive analysis about a wide variety of topics in chemical physics. Studies of reaction dynamics are necessary for the basic understanding of ionic processes relevant to organic, inorganic atmosphere, interstellar, plasma and material chemicals. Consisting of 8 chapters, Part 1 deals with the experimental aspects of the material above. Part 2 comprises theoretical aspects of said subject matter.
The Advances in Chemical Physics series provides the chemical physics and physical chemistry fields with a forum for critical, authoritative evaluations of advances in every area of the discipline. Filled with cutting-edge research reported in a cohesive manner not found elsewhere in the literature, each volume of the Advances in Chemical Physics series serves as the perfect supplement to any advanced graduate class devoted to the study of chemical physics.
This book provides a penetrating and comprehensive description of energy selected reactions from a theoretical as well as experimental view. Three major aspects of unimolecular reactions involving the preparation of the reactants in selected energy states, the rate of dissociation of the activated molecule, and the partitioning of the excess energy among the final products, are fully discussed with the aid of 175 illustrations and over 1,000 references, most from the recent literature. Examples of both neutral and ionic reactions are presented. Many of the difficult topics are discussed at several levels of sophistication to allow access by novices as well as experts. Among the topics covered for the first time in monograph form is a discussion of highly excited vibrational/rotational states and intramolecular vibrational energy redistribution. Problems associated with the application of RRKM theory are discussed with the aid of experimental examples. Detailed comparisons are also made between different statistical models of unimolecular decomposition. Both quantum and classical models not based on statistical assumptions are described. Finally, a chapter devoted to the theory of product energy distribution includes the application of phase space theory to the dissociation of small and large clusters. The work will be welcomed as a valuable resource by practicing researchers and graduate students in physical chemistry, and those involved in the study of chemical reaction dynamics.
Unimolecular and Bimolecular Ion—Molecule Reaction Dynamics Cheuk-Yiu Ng, Ames Laboratory, Iowa State University, Iowa, USA Tomas Baer, University of North Carolina, NC, USA Ivan Powis, University of Nottingham, UK Recent advances in both experimental techniques and theoretical methodologies have meant that increasingly sophisticated studies concerning the formation, structures, energetics, and reaction dynamics of state- or energy-selected molecular ions can now be performed. In order to better serve the ion chemistry and physics community, each volume of this series will be dedicated to reviewing a specific topic, emphasizing new experimental and theoretical developments in the study of ions. This third volume is devoted to the study of unimolecular and bimolecular ionic processes. Special emphasis is given to studies related to planetary and interstellar ion chemistry and physics, the understanding of which has been a great impetus to the study of ion—molecule reactions. Each of the nine chapters making up this volume is written by a leading researcher in the respective field. This series will help stimulate new research directions and point to future opportunities in the fields of ion chemistry and physics.
This is an in-depth monograph covering the topic of energy transfer and reactions on solid surfaces. This topic is of great interest now because of its applications to catalysis and solid-state electronics, including the manufacture of semiconductors, integrated circuits and other solid state devices. Initially it describes what is meant by heterogenous reaction dynamics. Basically, this is the study, on a molecular level, of the elementary dynamics of energy transfer and reactions at surface. The emphasis of the book will be on well characterized solid surfaces. Energy transfer and reactions are broadly defined to include phase transitions in adsorbed layers, diffusion, the absorption process itself, and energy transfer between adsorbate and subtrate, as well as gas-surface energy transfer, catalytic and oxidative type surface reactions.
State-Selected and State-to-State Ion-Molecules Reaction Dynamics details the recent experimental and theoretical accomplishments in the field to date by some of its foremost researchers and theorists. Divided into two parts, each of which separately describe the experimental and theoretical aspects of the field, State-Selected and State-to-State Ion-Molecule Reaction Dynamics is an accessible, well organized look at a highly useful and emerging chemical specialty. Part 1, :Experiment," contains eight in-depth studies, which illustrate the key experimental work being done in the field today: Chapter 1 provide a comprehensive review of the theory and application of inhomogeneous rf fields for the study of the dynamics of low-energy ion-molecules processes Chapter 2 describes the application of multiphoton ionization (MPI) for the preparation of reactant ion states Chapter 3 reviews the application of MPI schemes for state specific cross-section measurements involving transition metal cations Chapter 4 describes the development of the threshold photoelectron secondary ion coincidence (TESICO) method Chapter 5 presents the conceptual and practical aspects of a multicoincidence technique Chapter 6 details the experimental results obtained using the photoionization and differential reactivity methods Chapter 7 reviews the several recent crossed beam studies of charge transfer and collision-induced dissociation systems involving atomic and molecular ions Chapter 8 is a survey of 15 years of high resolution crossed beam scattering of protons with atoms, diatoms, and poly-atomic molecules State-Selected and State-to-State Ion-Molecule Reaction Dynamics, Part 1: Experiment offers professionals a true state-of-the-science look at this fascinating and increasingly influential subject.
Chemical Kinetics and Reaction Dynamics brings together the major facts and theories relating to the rates with which chemical reactions occur from both the macroscopic and microscopic point of view. This book helps the reader achieve a thorough understanding of the principles of chemical kinetics and includes: Detailed stereochemical discussions of reaction steps Classical theory based calculations of state-to-state rate constants A collection of matters on kinetics of various special reactions such as micellar catalysis, phase transfer catalysis, inhibition processes, oscillatory reactions, solid-state reactions, and polymerization reactions at a single source. The growth of the chemical industry greatly depends on the application of chemical kinetics, catalysts and catalytic processes. This volume is therefore an invaluable resource for all academics, industrial researchers and students interested in kinetics, molecular reaction dynamics, and the mechanisms of chemical reactions.
The stereochemistry of elementary reactions is discussed and the following areas are covered in experimental and theoretical papers: Frequency and time resolved studies of molecular photodissociation or photoinitiated processes, control of reactivity via collision energy, selective vibration of reagents, or reagent alignment and demonstrations of active or coherent control of chemical processes. Faraday Discussions documents a long-established series of Faraday Discussion meetings which provide a unique international forum for the exchange of views and newly acquired results in developing areas of physical chemistry, biophysical chemistry and chemical physics. The papers presented are published in the Faraday Discussion volume together with a record of the discussion contributions made at the meeting. Faraday Discussions therefore provide an important record of current international knowledge and views in the field concerned.
The calculation of cross sections and rate constants for chemical reactions in the gas phase has long been a major problem in theoretical chemistry. The need for reliable and applicable theories in this field is evident when one considers the significant recent advances that have been made in developing experimental techniques, such as lasers and molecular beams, to probe the microscopic details of chemical reactions. For example, it is now becoming possible to measure cross sections for chemical reactions state selected in the vibrational rotational states of both reactants and products. Furthermore, in areas such as atmospheric, combustion and interstellar chemistry, there is an urgent need for reliable reaction rate constant data over a range of temperatures, and this information is often difficult to obtain in experiments. The classical trajectory method can be applied routinely to simple reactions, but this approach neglects important quantum mechanical effects such as tunnelling and resonances. For all these reasons, the quantum theory of reactive scattering is an area that has received considerable attention recently. This book describes the proceedings of a NATO Advanced Research Workshop held at CECAM, Orsay, France in June, 1985. The Workshop concentrated on a critical examination and discussion of the recent developments in the theory of chemical reaction dynamics, with particular emphasis on quantum theories. Several papers focus on exact theories for reactions.
DIVThis text teaches the principles underlying modern chemical kinetics in a clear, direct fashion, using several examples to enhance basic understanding. Solutions to selected problems. 2001 edition. /div
This inspired book by some of the most influential scientists of our time--including six Nobel laureates--chronicles our emerging understanding of the chemical bond through the last nine decades and into the future. From Pauling's early structural work using x-ray and electron diffraction to Zewail's femtosecond lasers that probe molecular dynamics in real time; from Crick's molecular biology to Rich's molecular recognition, this book explores a rich tradition of scientific heritage and accomplishment. The perspectives given by Pauling, Perutz, Rich, Crick, Porter, Polanyi, Herschbach, Zewail, and Bernstein celebrate major scientific achievements in chemistry and biology with the chemical bond playing a fundamental role. In a unique presentation that also provides some lively insights into the very nature of scientific thought and discovery, The Chemical Bond: Structure and Dynamics will be of general interest to scientists, science historians, and the scientifically inclined populous.
This title covers the state of the art in this field both theoretically and experimentally. With contributions from leading researchers including several Nobel laureates, it represents a long-lasting source of reference on all aspects of fundamental research into or using atomic and molecular beams.
This thesis addresses two important and also challenging issues in the research of chemical reaction dynamics of F+H2 system. One is to probe the reaction resonance and the other is to determine the extent of the breakdown of the Born-Oppenheimer approximation (BOA) experimentally. The author introduces a state-of-the-art crossed molecular beam-scattering apparatus using a hydrogen atom Rydberg "tagging" time-of-flight method, and presents thorough state-to-state experimental studies to address the above issues. The author also describes the observation of the Feshbach resonance in the F+H2 reaction, a precise measurement of the differential cross section in the F+HD reaction, and validation of a new accurate potential energy surface with spectroscopic accuracy. Moreover, the author determines the reactivity ratio between the ground state F(2P3/2) and the excited state F*(2P1/2) in the F+D2 reaction, and exploits the breakdown of BOA in the low collision energy.