Download or read book Molecular Beam Experiments and Theoretical Studies on the Dynamics and Photochemistry of Several Small Molecules written by Preston Garrieth Scrape and published by . This book was released on 2017 with total page 169 pages. Available in PDF, EPUB and Kindle. Book excerpt: These experimental and computational studies characterize the dynamics and thermochemistry of several species that are important in atmospheric, combustion, and interstellar chemistry. The species are selected both as interesting problems in their own right, and as proxies that give insight into even more complex problems. In crossed laser-molecular beam experiments, the uv photochemistry of BrCH2CH2ONO and CH2Cl2 are probed, revealing rich excited-state dynamics including the unexpected photoelimination of HNO from BrCH2CH2ONO and an unusual trimodal kinetic energy release in HCl photoelimination from CH2Cl2. In the case of CH2Cl2, C-Cl photofission produces the CH2Cl radical, allowing a first characterization of its photoionization cross section. BrCH2CH2ONO also generates the openshell nitrite CH2CH2ONO, which is found to dissociate predominately via its lowest-barrier pathway to NO2 + ethene; however, this radical evinces significant dissociation to HNO + vinoxy, even though the barrier to this process (calculated at the G4/B3LYP/6-311++G(3df,2p) level of theory) is prohibitively high. This result implies a non-intrinsic reaction coordinate pathway to HNO that circumvents the classical transition state; thus, HNO production from nitrite radicals is likely a more important channel than was previously believed. In a theoretical study, a new model of energy partitioning in dissociation reactions is developed that estimates the distribution of vibrational energy based solely on the intrinsic reaction coordinate surface; the predictions of this model are found to agree quite well with experimental measurements in the case of HCl photoelimination from acryloyl chloride. Finally, in support of future dynamics studies, a novel composite thermochemical protocol is assessed by calculating the singlet-triplet gap of CH2 and the dissociation threshold of (H2O)2. The protocol agrees exceptionally well with experimental values, giving confidence that it may be applied to other systems.
Download or read book Time Resolved Photoionisation Studies of Polyatomic Molecules written by Martin Alex Bjørnholst and published by Springer Nature. This book was released on 2020-08-03 with total page 155 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book explores how structure impacts the dynamics of organic molecules in an extensive and impressive range of femtosecond time-resolved experiments that are combined with state-of-the-art theoretical approaches. It explores an area of molecular dynamics that remains largely uncharted and provides an extraordinary overview, along with novel insights into the concept of the dynamophore – the functional group of ultrafast science. Divided into four parts, this book outlines both experimental and computational studies on the VUV photoinduced dynamics of four cyclic ketones and one linear ketone, the ring-opening and dissociative dynamics of cyclopropane, and the potential ultrafast intersystem crossing in three methylated benzene derivatives. Model systems for the disulfide bond and the peptide bond, both of which are related to the structure of proteins, are also investigated. This highly informative and carefully presented book offers a wealth of scientific insights for all scholars with an interest in molecular dynamics.
Download or read book The Chemical Dynamics and Kinetics of Small Radicals written by Ketian Liu and published by World Scientific. This book was released on 1996-01-19 with total page 616 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book highlights recent progress in the chemistry of radicals. Developments include the growing use of lasers to generate radicals, the application of lasers to provide state, angular, polarization, energy and real-time resolution in kinetics and dynamics experiments, the development of theories for handling the reactions of radicals, and the simulation of the reaction dynamics of increasingly larger systems for direct comparison to experimental results. The book emphasizes the increasing interaction between experimental dynamics, kinetics and theory. It is appropriate for chemistry graduate students and researchers about to enter the field. However, the discussions of some topics progress to a more advanced level so that even an expert will find the book useful.
Download or read book Dynamics of Molecular Collisions written by W. Miller and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 329 pages. Available in PDF, EPUB and Kindle. Book excerpt: Activity in any theoretical area is usually stimulated by new experimental techniques and the resulting opportunity of measuring phenomena that were previously inaccessible. Such has been the case in the area under consideration here beginning about fifteen years ago when the possibility of studying chemical reactions in crossed molecular beams captured the imagination of physical chemists, for one could imagine investigating chemical kinetics at the same level of molecular detail that had previously been possible only in spectroscopic investigations of molecular stucture. This created an interest among chemists in scattering theory, the molecular level description of a bimolecular collision process. Many other new and also powerful experimental techniques have evolved to supplement the molecular beam method, and the resulting wealth of new information about chemical dynamics has generated the present intense activity in molecular collision theory. During the early years when chemists were first becoming acquainted with scattering theory, it was mainly a matter of reading the physics literature because scattering experiments have long been the staple of that field. It was natural to apply the approximations and models that had been developed for nuclear and elementary particle physics, and although some of them were useful in describing molecular collision phenomena, many were not. The most relevant treatise then available to students was Mott and Massey's classic The Theory of Atomic Collisions, * but, as the title implies, it dealt only sparingly with the special features that arise when at least one of the collision partners is a molecule.
Download or read book Molecular Beams in Physics and Chemistry written by Bretislav Friedrich and published by Springer Nature. This book was released on 2021-06-19 with total page 639 pages. Available in PDF, EPUB and Kindle. Book excerpt: This Open Access book gives a comprehensive account of both the history and current achievements of molecular beam research. In 1919, Otto Stern launched the revolutionary molecular beam technique. This technique made it possible to send atoms and molecules with well-defined momentum through vacuum and to measure with high accuracy the deflections they underwent when acted upon by transversal forces. These measurements revealed unforeseen quantum properties of nuclei, atoms, and molecules that became the basis for our current understanding of quantum matter. This volume shows that many key areas of modern physics and chemistry owe their beginnings to the seminal molecular beam work of Otto Stern and his school. Written by internationally recognized experts, the contributions in this volume will help experienced researchers and incoming graduate students alike to keep abreast of current developments in molecular beam research as well as to appreciate the history and evolution of this powerful method and the knowledge it reveals.
Download or read book Recent Research in Molecular Beams written by Immanual Estermann and published by Elsevier. This book was released on 2012-12-02 with total page 199 pages. Available in PDF, EPUB and Kindle. Book excerpt: Recent Research in Molecular Beam is a collection of scientific papers that have been inspired by Otto Stern, the founder of Molecular Beam Research. This book is composed of 10 chapters and begins with discussions on the early history of molecular beam research. The next chapters describe the velocity distribution measurements made on potassium molecular beams with a fixed-frequency, variable phase velocity selector, along with a brief consideration of the principles and concepts of electron magnetic moment and atomic magnetism. A chapter presents the atomic beam spectroscopic experiments on the metastable state of the hydrogen-like atoms that depend on a wholly different principle for the detection of transitions. This text further explores the effects of variations in the oscillatory field amplitudes, perturbations by neighboring resonances, perturbations by oscillatory fields, variations in the fixed field amplitudes, and phase shifts of the oscillatory fields. These topics are followed by a comparison of advantages and limitations of various techniques for spin property measurement as they apply in particular to radioactive nuclei, such as optical and molecular gas microwave spectroscopy, nuclear and paramagnetic resonance, and atomic beams. The remaining chapters examine fluid friction in a rarefied gas flow; some applications of molecular beam techniques to chemistry; and the polarized neutrons based on a Stern-Gerlach experiment. This work will be of great value to workers and researchers in molecular beam field.
Download or read book Scientific and Technical Aerospace Reports written by and published by . This book was released on 1994 with total page 892 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Spectra and Dynamics of Small Molecules written by Robert W. Field and published by Springer. This book was released on 2015-04-14 with total page 162 pages. Available in PDF, EPUB and Kindle. Book excerpt: These seven lectures are intended to serve as an introduction for beginning graduate students to the spectra of small molecules. The author succeeds in illustrating the concepts by using language and metaphors that capture and elegantly convey simple insights into dynamics that lie beyond archival molecular constants. The lectures can simultaneously be viewed as a collection of interlocking special topics that have fascinated the author and his students over the years. Though neither a textbook nor a scholarly monograph, the book provides an illuminating perspective that will benefit students and researchers alike.
Download or read book Multiple Photon Excitation and Dissociation of Polyatomic Molecules written by Cyrus D. Cantrell and published by Springer Science & Business Media. This book was released on 2013-03-08 with total page 300 pages. Available in PDF, EPUB and Kindle. Book excerpt: In the early 1970s, researchers in Canada, the Soviet Union and the United States discovered that powerful infrared laser pulses are capable of dissociating mole cules such as SiF4 and SF6' This result, which was so unexpected that for some time the phenomenon of multiple-photon dissociation was not recognized in many cir cumstances in which we now know that it occurs, was first publicized at a time when the possibility of using lasers for the separation of isotopes had attracted much attention in the scientific community. From the mid-1970s to the early 1980s, hun dreds of experimental papers were published describing the multiple-photon absorp tion of C02 laser pulses in nearly every simple molecule with an absorption band in the 9 - 11 jJm region. Despite this impressive volume of experimental results, and despite the efforts of numerous theorists, there is no agreement among re searchers in the field on many fundamental aspects of the absorption of infrared laser light by polyatomic molecules. This book is devoted to reviells of the experimental and theoretical research that provides the foundations for our current understanding of molecular multiple photon exc itat i on, and to rev i ews of research that is pert i nent to the 1 aser sep aration of isotopes.
Download or read book Energy Research Abstracts written by and published by . This book was released on 1992-12 with total page 474 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Modern Trends In Chemical Reaction Dynamics Part Ii Experiment And Theory written by Kopin Liu and published by World Scientific. This book was released on 2004-11-22 with total page 539 pages. Available in PDF, EPUB and Kindle. Book excerpt: The field of chemical reaction dynamics has made tremendous progress during the last decade or so. This is due largely to the development of many new, state-of-the-art experimental and theoretical techniques during that period. It is beneficial to present these advances, both theoretical and experimental, in a review volume (Parts I and II). The primary purpose of this review volume is to provide graduate students and experts in the field with a rather detailed picture of the current status of advanced experimental and theoretical research in chemical reaction dynamics. All chapters in these two parts have been written by world-renowned experts active in such research.
Download or read book Molecular Beam Studies of Unimolecular and Bimolecular Chemical Reaction Dynamics Using VUV Synchrotron Radiation as a Product Probe written by and published by . This book was released on 1997 with total page 267 pages. Available in PDF, EPUB and Kindle. Book excerpt: This dissertation describes the use of a new molecular beam apparatus designed to use tunable VUV synchrotron radiation for photoionization of the products from scattering experiments. The apparatus was built at the recently constructed Advanced Light Source at Lawrence Berkeley National Laboratory, a third generation 1-2 GeV synchrotron radiation source. The new apparatus is applied to investigations of the dynamics of unimolecular reactions, photodissociation experiments, and bimolecular reactions, crossed molecular beam experiments. The first chapter describes the new apparatus and the VUV radiation used for photoionization. This is followed by a number of examples of the many advantages provided by using VUV photoionization in comparison with the traditional technique of electron bombardment ionization. At the end of the chapter there is a discussion of the data analysis employed in these scattering experiments. The remaining four chapters are complete investigations of the dynamics of four chemical systems using the new apparatus and provide numerous additional examples of the advantages provided by VUV photoionizaiton of the products. Chapters 2-4 are photofragment translational spectroscopy studies of the photodissociation dynamics of dimethyl sulfoxide, acrylonitrile, and vinyl chloride following absorption at 193 mn. All of these systems have multiple dissociation channels and provide good examples of the ability of the new apparatus to unravel the complex UV photodissociation dynamics that can arise in small polyatomic molecules.
Download or read book Modern Trends in Chemical Reaction Dynamics written by Xueming Yang and published by World Scientific. This book was released on 2004 with total page 539 pages. Available in PDF, EPUB and Kindle. Book excerpt: Annotation Provides a detailed picture of the current status of advanced experimental and theoretical research in chemical reaction dynamics. Topics include the Doppler-selected time-of-flight technique, multimass ion imaging, and photodissociation dynamics of free radicals.
Download or read book Molecular Beams written by Norman Ramsey and published by Oxford University Press. This book was released on 1956 with total page 480 pages. Available in PDF, EPUB and Kindle. Book excerpt: First published in 1956, this classic work by N.F. Ramsey, 1989 Nobel Laureate in Physics, provides an account of atomic and molecular structure. After an introductory section reviewing experimental apparatus and the kinds of quantities that can be measured, Ramsey provides comprehensive accounts of gas kinetics, chemical equilibria, and atomic and nuclear magnetic moments by nonresonance methods. He also provides tables of nuclear moments, as well as detailed accounts of nuclear and molecular interactions. Finally there are sections on atomic fine and hyperfine structure, and the design of experimental apparatus. The focus throughout is on the physics of beams composed of electrically neutral particles. As a seminal work by one of the world's leading scientists, this volume will interest students and researchers in a range of fields, including atomic physics, physical chemistry, spectroscopy, and biological chemistry.
Download or read book Advances In Multi photon Processes And Spectroscopy Vol 10 written by Kenneth P Ghiggino and published by World Scientific. This book was released on 1996-06-20 with total page 476 pages. Available in PDF, EPUB and Kindle. Book excerpt: In view of the rapid growth in both experimental and theoretical studies of multiphoton processes and multiphoton spectroscopy of atoms, ions and molecules in chemistry, physics, biology, materials science, etc., it is desirable to publish an Advanced Series that contains review papers readable not only by active researchers in these areas, but also by those who are not experts in the field but who intend to enter the field. The present series attempts to serve this purpose. Each review article is written in a self-contained manner by the experts in the area so that the readers can grasp the knowledge in the area without too much preparation.It is hoped that the collection of topics in this volume will be useful not only to active researchers but also to other scientists in biology, chemistry, materials science and physics.
Download or read book Photochemistry of Small Molecules written by Hideo Okabe and published by John Wiley & Sons. This book was released on 1978 with total page 456 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Advances in Photochemistry Volume 22 written by Douglas C. Neckers and published by John Wiley & Sons. This book was released on 2009-09-24 with total page 302 pages. Available in PDF, EPUB and Kindle. Book excerpt: Twenty-first century innovation . today. Advances in Photochemistry A critical evaluation by internationally recognized experts of some of the most important work currently being done in photochemistry, Volume 22 of this respected series provides a glimpse into the possible shape of the science tomorrow. Each article is intended as a catalyst for further research and discussion, allowing chemists to widen their interests and broaden the boundaries of experimentation. In this volume Ultraviolet Photodissociation Studies of Organosulfur Molecules and Radicals: Energetics, Structure Identification, and Internal State Distribution C. Y. NG Photoreactive Organic Thin Films in the Light of Bound Electromagnetic Waves Z. Sekkat and W. Knoll Elementary Photoprocesses in Designed Chromophore Sequences on -Helical Polypeptides M. Sisido The Photochemistry of Indoles A. Weedon
