A significantly updated translation of Lichtabsorption und Photochemie Organischer Molekule, published by VCH in 1989. A graduate textbook that provides a qualitative description of electronic excitation in organic molecules and of the associated spectroscopy, photophysics, and photochemistry. The treatment is non- mathematical and emphasizes the use of simple qualitative models for developing an intuitive feeling for the course of photophysical and photochemical processes in terms of potential energy hypersurfaces. Special attention is paid to recent developments, particularly to the role of conical intersections. Annotation copyright by Book News, Inc., Portland, OR
It is undoubtedly true that much of the progress in the quant~m theory of matter is due to the remarkable success of the independent particle model (IPM)--especially in describing ground states. However, the accurate experimental results of the last 10 years or so, on a variety of spectroscopic phenomena and chemical processes which involve the Excited State, and the related failure of the IPM to reproduce accurately--in many cases, even qualitatively--the observed data, have sent to theorists a clear message: There is need to create and/or apply general and useful approaches to the many-electron problem of the excited state which go beyond the IPM, treat electron correlation and relativity and explain or predict all relevant physical or chemical information with consistent accuracy. This book contains articles devoted mainly to some of the most important new developments in Quantum Chemistry concerning the theoretical foundations and the computational implementation of many-body approaches to the quantitative and detailed under standing of the electronic excited states of atoms, molecules and solids. Furthermore, it contains experimental and pheno menological articles on Photoelectron and Auger spectroscopy, Lifetime measurements and Organic Photochemistry. In combination or individually, these articles constitute a good description of some current theoretical and experimental work on the electronic structure and spectroscopy of atoms, molecules, polymers, surfaces, metal oxides and amorphous solids.
Rearrangement in ground and excited states, Volume 1 covers essays on the rearrangements of carbocations; gas-phase ion rearrangements; and rearrangements of carbenes and nitrenes. The book also includes essays on the free-radical rearrangements; hypothetical biradical pathways in thermal unimolecular rearrangements; and rearrangements in carbanions. Chemists and people involved in the study of rearrangements will find the book invaluable.
An introduction to the rapidly evolving methodology of electronic excited states For academic researchers, postdocs, graduate and undergraduate students, Quantum Chemistry and Dynamics of Excited States: Methods and Applications reports the most updated and accurate theoretical techniques to treat electronic excited states. From methods to deal with stationary calculations through time-dependent simulations of molecular systems, this book serves as a guide for beginners in the field and knowledge seekers alike. Taking into account the most recent theory developments and representative applications, it also covers the often-overlooked gap between theoretical and computational chemistry. An excellent reference for both researchers and students, Excited States provides essential knowledge on quantum chemistry, an in-depth overview of the latest developments, and theoretical techniques around the properties and nonadiabatic dynamics of chemical systems. Readers will learn: ● Essential theoretical techniques to describe the properties and dynamics of chemical systems ● Electronic Structure methods for stationary calculations ● Methods for electronic excited states from both a quantum chemical and time-dependent point of view ● A breakdown of the most recent developments in the past 30 years For those searching for a better understanding of excited states as they relate to chemistry, biochemistry, industrial chemistry, and beyond, Quantum Chemistry and Dynamics of Excited States provides a solid education in the necessary foundations and important theories of excited states in photochemistry and ultrafast phenomena.
The subject of the book is electron transfer reactions in organic chemistry, with the emphasis on mechanistic aspects. The theoretical framework is that of the Marcus theory, well-known from its extensive use in inorganic chemistry. The book deals with definitions of electron transfer, theory of electron transfer reactions (Marcus' and Pross-Shaik's approach) experimental diagnosis of electron transfer reactions, examples from inorganic/organic reactants and purely organic reactants, electro- and photochemical electron transfer, electron transfer catalyzed reactions, connections between electron transfer and polar mechanisms, and applications of electron transfer, such as electrosynthesis of organic chemicals, photochemical energy storage, conducting organic materials and chemiluminescence. The approach is new in so far as no comparable book has been published. The book will be of value to anyone interested in keeping track of developments in physical organic chemistry.
Sets forth the analytical tools needed to solve key problems in organic chemistry With its acclaimed decision-based approach, Electron Flow in Organic Chemistry enables readers to develop the essential critical thinking skills needed to analyze and solve problems in organic chemistry, from the simple to complex. The author breaks down common mechanistic organic processes into their basic units to explain the core electron flow pathways that underlie these processes. Moreover, the text stresses the use of analytical tools such as flow charts, correlation matrices, and energy surfaces to enable readers new to organic chemistry to grasp the fundamentals at a much deeper level. This Second Edition of Electron Flow in Organic Chemistry has been thoroughly revised, reorganized, and streamlined in response to feedback from both students and instructors. Readers will find more flowcharts, correlation matrices, and algorithms that illustrate key decision-making processes step by step. There are new examples from the field of biochemistry, making the text more relevant to a broader range of readers in chemistry, biology, and medicine. This edition also offers three new chapters: Proton transfer and the principles of stability Important reaction archetypes Qualitative molecular orbital theory and pericyclic reactions The text's appendix features a variety of helpful tools, including a general bibliography, quick-reference charts and tables, pathway summaries, and a major decisions guide. With its emphasis on logical processes rather than memorization to solve mechanistic problems, this text gives readers a solid foundation to approach and solve any problem in organic chemistry.
Nonadiabatic transition is a highly multidisciplinary concept and phenomenon, constituting a fundamental mechanism of state and phase changes in various dynamical processes of physics, chemistry and biology, such as molecular dynamics, energy relaxation, chemical reaction, and electron and proton transfer. Control of molecular processes by laser fields is also an example of time-dependent nonadiabatic transition. In this new edition, the original chapters are updated to facilitate enhanced understanding of the concept and applications. Three new chapters OCo comprehension of nonadiabatic chemical dynamics, control of chemical dynamics, and manifestation of molecular functions OCo are also added.
