Author: Michael Shane Bowen
Publisher:
ISBN:
Category :
Languages : en
Pages : 0
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Book Description
This dissertation focuses on the photodetachment dynamics of small oxygen-containing organic anions and iodide atoms clustered with a series of different solvents. These molecular systems represent important classes of transient species that play a role in complex oxidation and solvation phenomena. Photoelectron-photofragment coincidence spectroscopy was used to characterize the photodetachment and dissociation dynamics of these species. Interpretation of the resulting energy spectra, photoelectron angular distributions and dissociation dynamics was aided by density functional theory calculations. Small oxygen-containing organic radicals, such as the vinoxy and allyloxy radicals presented in Chapters 3 and 4, are representative volatile organic compounds. These species are of great interest to atmospheric and physical chemists because they play important roles in atmospheric oxidation and combustion processes. A detailed understanding of the energetics and dynamics of these reactive species is essential to understanding complex combustion and atmospheric environments. The photodetachment dynamics of solvated iodide anions probes solvation phenomena at a microscopic level. The investigations presented in Chapters 5 and 6 approach the study of solvation by characterizing the dissociative photodetachment dynamics of solvated iodide atoms, I−(X). This approach characterizes the half-collision dynamics between a series of different solvents and the iodine atom, as configured in the equilibrium geometries of the anionic precursors. The solvents investigated, X, were CO2, NH3, H2O, C6H5NH2 and C6H5OH. These studies yield information about the effects of different types of intermolecular forces on the photodetachment dynamics of I− as well as the dissociation dynamics of the weakly interacting neutral cluster constituents. For the I−(C6H5NH2) complex, a novel wavelength-independent autodetachment process involving a transient C6H5NH2 species was found to compete with direct photodetachment.
Author:
Publisher:
ISBN:
Category : Dissertations, Academic
Languages : en
Pages : 902
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Book Description
Author: Michael L. Gross
Publisher: Pergamon
ISBN:
Category : Science
Languages : en
Pages : 954
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Book Description
This multi-volume work provides comprehensive coverage of the full range of topics and techniques in mass spectrometry. Techniques, methods and applications are described in detail; including limitations, current problems, and areas in which the method does not succeed well.
Author: Werner Kunz
Publisher: World Scientific
ISBN: 9814271586
Category : Medical
Languages : en
Pages : 347
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Book Description
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.
Author: R. F. Stebbings
Publisher: Cambridge University Press
ISBN: 052124823X
Category : Science
Languages : en
Pages : 528
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Book Description
After the development of the tunable laser, experimental studies in Rydberg states of atoms and molecules grew at a remarkable rate. Fundamental questions were resolved, opening doors for more experimental activity and theoretical inquiry. In this comprehensive summary of knowledge of Rydberg states, which was originally published in 1983, Professors Stebbings and Dunning brought together a select collection of experimental and theoretical discussions. Composed of works by the acknowledged leaders in the field, this volume will be of value for anyone with an interest in molecular physics.
Author: Edwin James Hart
Publisher: John Wiley & Sons
ISBN:
Category : Science
Languages : en
Pages : 298
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Book Description
Author: Michele Kimble
Publisher: Elsevier
ISBN: 0080466826
Category : Technology & Engineering
Languages : en
Pages : 611
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Book Description
Femtochemistry VII presents the most recent developments in femtochemistry and highlights the significance of the field today. This book contains extracts from the proceedings, presentations and posters from the Femtochemistry VII conference, held in Washington D.C., on July 17-22, 2005. The stimulating conference was opened by Professor Ahmed Zewail (1999 Nobel Prize Winner), and as was evident by the attendees at the conference, had a very active program with the presentation of numerous talks and a large number of posters. This collection of papers reflects the remarkable progress that has been made in femtosecond spectroscopy, and especially to its emergence as a field of research devoted to chemistry and biology, giving rise to femtochemistry and femtobiology. Subjects covered include imaging, structural dynamics, and spectroscopies, fundamentals of reaction dynamics, salvation phenomenta, liquids and interfaces, aggregates/particles/surfaces, protein dynamics and photobiology, quantum control, and intense laser-matter interactions. Subjects covered by this book include imaging, structural dynamics, and spectroscopies; fundamentals of reaction dynamics; salvation phenomenta; liquids and interfaces; aggregates/particles/surfaces; protein dynamics and photobiology; quantum control; and intense laser-matter interactions. This book would appeal to chemists, physicists and biologists in the fields of atomic and molecular science. * Contains the most recent developments in Femtochemistry from the Femtochemistry VII conference* Highlights the significance of femtochemistry today* Displays extracts from the proceedings, presentations and posters from the conference
Author: Dominik Marx
Publisher: Cambridge University Press
ISBN: 1139477196
Category : Science
Languages : en
Pages : 503
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Book Description
Ab initio molecular dynamics revolutionized the field of realistic computer simulation of complex molecular systems and processes, including chemical reactions, by unifying molecular dynamics and electronic structure theory. This book provides the first coherent presentation of this rapidly growing field, covering a vast range of methods and their applications, from basic theory to advanced methods. This fascinating text for graduate students and researchers contains systematic derivations of various ab initio molecular dynamics techniques to enable readers to understand and assess the merits and drawbacks of commonly used methods. It also discusses the special features of the widely used Car–Parrinello approach, correcting various misconceptions currently found in research literature. The book contains pseudo-code and program layout for typical plane wave electronic structure codes, allowing newcomers to the field to understand commonly used program packages and enabling developers to improve and add new features in their code.
Author: Samuel McManus
Publisher: Elsevier
ISBN: 0323146279
Category : Science
Languages : en
Pages : 552
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Book Description
Organic Chemistry: A Series of Monographs, Volume 26: Organic Reactive Intermediates focuses on the study of reactive intermediates. This book discusses the methods of formation and investigation, factors affecting the stability, and reactions of the intermediate. Other topics include the formation and reaction of free radicals; kinetic aspects of free-radical chain reactions; electronic states and structures of carbenes; and formation of transient carbenes and carbenoids in solution. The intermediacy of nitrenes in reactions; electronic structure and spectra; methods of investigating carbonium ions; and reactions of carbonium ions are also elaborated. This publication likewise covers the preparation of carbanions; factors affecting the stability of carbanions; reactions involving radical ions; and methods of investigating arynes. This volume serves as a textbook for the first graduate-level course, as well as a reference for industrial chemists interested in organic reaction mechanisms.
Author:
Publisher: Academic Press
ISBN: 0128111062
Category : Science
Languages : en
Pages : 360
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Book Description
Polyoxometalate Chemistry continues a long-running series that describes recent advances in scientific research, in particular, in the field of inorganic chemistry. Several highly regarded experts, mostly from academia, contribute on specific topics. The current issue focuses on recent advances in the development and application of polyoxometalate complexes in areas such as solution chemistry, self-organization, solar fuels, non-aqueous chemistry, spintronics, nanoscience and catalysis. - Presents a single monograph on recent developments in polyoxometalate chemistry as written by scientific leaders in this field - Concise and informative presentations cover a wide range of topics in this field of chemistry - Contains detailed literature references, enabling the reader to move on to the source of the reported work where more details can be found - Provides a solid presentation of a hard-cover book of excellent technical quality
