Download or read book Isomerization and Fragmentation of Polyatomic Molecules Induced by Ultraviolet and Extreme UV Light written by Shashank Pathak and published by . This book was released on 2021 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Imaging molecular structures evolving at their natural timescales, during a chemical reaction, with an atomic-scale resolution has been a long-standing goal for physicists and chemists. With the recent developments in experimental techniques, as well as the light sources, such as synchrotron radiation sources, free-electron lasers (FELs), ultrafast lasers, and high-harmonic sources, it is now possible to study the molecular dynamics and structural changes with femtosecond (in some cases attosecond) time-resolution, for near-infrared to x-ray wavelengths. These advancements are particularly useful in studying a wide range of photoinduced chemical reactions and photoinduced fragmentation. In this thesis, some of the advanced techniques are used to study photoinduced isomerization and fragmentation. This thesis also partly focuses on developing the tools and techniques which can be used to study these molecular structural changes. Several molecular systems are studied throughout the thesis. Some of them are studied with the goal of understanding the chemistry post photoexcitation and photo-fragmentation, while others were aiming for method development for future experiments. Specifically, some of the experiments are performed on a prototypical heterocyclic ring molecule, thiophenone. One such experiment studies photochemistry after ultraviolet light absorption, using time-resolved photoelectron spectroscopy at a free-electron laser. The experimental results are combined with ab-initio molecular dynamics and electronic structure calculation for the ground state and excited state molecules, which revealed insights about the electronic and nuclear dynamics. Ring-opening is the most dominant process upon photoexcitation, driven by a ballistic extension of C-S bond, and is completed within ~350 fs. The ground state trajectories also confirm the formation of three ring-opened products, providing detailed insights into this reaction. Ring-opening reactions of similar types are considered as candidates for designing fast molecular switches. In another study, the fragmentation pathways of thiophenone are studied using ion-electron coincidence experiments. With these experiments, it is observed that some of the fragmentation pathways may be decoupled purely based upon the photoelectron energy, which is also a measure of the internal energy of an ion. Another method, which is often used to study dissociation, fragmentation, and isomerization pathways, is coincident ion momentum imaging. The sensitivity of this method in distinguishing similar-looking structures is demonstrated by distinguishing conformational isomers of 1,2-dibromoethane, which only differ by a rotation around a single bond and coexist in a particular ratio at any given temperature. Sequential and concerted breakup pathways were disentangled using a newly developed Native frames method to obtain information about the initial molecular geometry. These experiments may trigger future time-resolved studies to monitor subtle molecular structural changes using coincidence ion momentum imaging. The work presented in this thesis uses a wide variety of techniques to understand light-induced isomerization and fragmentation dynamics, from simple molecules to moderately complex systems. This work contributes to the understanding developed for the prototypical systems, which may help formulate general principles underlying some light-induced reactions and processes.
Download or read book XUV Pump Probe Experiments on Diatomic Molecules written by Kirsten Schnorr and published by Springer. This book was released on 2014-12-29 with total page 198 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book explores the relaxation dynamics of inner-valence-ionized diatomic molecules on the basis of extreme-ultraviolet pump-probe experiments performed at the free-electron laser (FEL) in Hamburg. Firstly, the electron rearrangement dynamics in dissociating multiply charged iodine molecules is studied in an experiment that made it possible to access charge transfer in a thus far unexplored quasimolecular regime relevant for plasma and chemistry applications of the FEL. Secondly the lifetime of an efficient non-radiative relaxation process that occurs in weakly bound systems is measured directly for the first time in a neon dimer (Ne2). Interatomic Coulombic decay (ICD) has been identified as the dominant decay mechanism in inner-valence-ionized or excited van-der-Waals and hydrogen bonded systems, the latter being ubiquitous in all biomolecules. The role of ICD in DNA damage thus demands further investigation, e.g. with regard to applications like radiation therapy.
Download or read book Attosecond and Strong Field Physics written by C. D. Lin and published by Cambridge University Press. This book was released on 2018-05-10 with total page 419 pages. Available in PDF, EPUB and Kindle. Book excerpt: An introductory textbook on attosecond and strong field physics, covering fundamental theory and modeling techniques, as well as future opportunities and challenges.
Download or read book Nanoscale Photonic Imaging written by Tim Salditt and published by Springer Nature. This book was released on 2020-06-09 with total page 634 pages. Available in PDF, EPUB and Kindle. Book excerpt: This open access book, edited and authored by a team of world-leading researchers, provides a broad overview of advanced photonic methods for nanoscale visualization, as well as describing a range of fascinating in-depth studies. Introductory chapters cover the most relevant physics and basic methods that young researchers need to master in order to work effectively in the field of nanoscale photonic imaging, from physical first principles, to instrumentation, to mathematical foundations of imaging and data analysis. Subsequent chapters demonstrate how these cutting edge methods are applied to a variety of systems, including complex fluids and biomolecular systems, for visualizing their structure and dynamics, in space and on timescales extending over many orders of magnitude down to the femtosecond range. Progress in nanoscale photonic imaging in Göttingen has been the sum total of more than a decade of work by a wide range of scientists and mathematicians across disciplines, working together in a vibrant collaboration of a kind rarely matched. This volume presents the highlights of their research achievements and serves as a record of the unique and remarkable constellation of contributors, as well as looking ahead at the future prospects in this field. It will serve not only as a useful reference for experienced researchers but also as a valuable point of entry for newcomers.
Download or read book Ultrafast Optics V written by Shuntaro Watanabe and published by Springer. This book was released on 2014-11-22 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book brings together in a single volume the most up-to-date results in the field presented at Ultrafast Optics and Applications of High Field and Short Wavelength Sources 2005. The volume contains keynote and invited contributions together with carefully selected regular contributions. The book aims at the highest level of presentation to make it useful as a reference for those working in the field.
Download or read book Energy Dissipation in Molecular Systems written by André Tramer and published by Springer Science & Business Media. This book was released on 2005-03-29 with total page 220 pages. Available in PDF, EPUB and Kindle. Book excerpt: Only a basic knowledge of quantum mechanics and spectroscopy is required of the reader and calculations are reduced to a strict minimum, making the book accessible to students."--Jacket.
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 Handbook of High resolution Spectroscopy written by Martin Quack and published by John Wiley & Sons. This book was released on 2011-09-26 with total page 2236 pages. Available in PDF, EPUB and Kindle. Book excerpt: The field of High-Resolution Spectroscopy has been considerably extended and even redefined in some areas. Combining the knowledge of spectroscopy, laser technology, chemical computation, and experiments, Handbook of High-Resolution Spectroscopy provides a comprehensive survey of the whole field as it presents itself today, with emphasis on the recent developments. This essential handbook for advanced research students, graduate students, and researchers takes a systematic approach through the range of wavelengths and includes the latest advances in experiment and theory that will help and guide future applications. The first comprehensive survey in high-resolution molecular spectroscopy for over 15 years Brings together the knowledge of spectroscopy, laser technology, chemical computation and experiments Brings the reader up-to-date with the many advances that have been made in recent times Takes the reader through the range of wavelengths, covering all possible techniques such as Microwave Spectroscopy, Infrared Spectroscopy, Raman Spectroscopy, VIS, UV and VUV Combines theoretical, computational and experimental aspects Has numerous applications in a wide range of scientific domains Edited by two leaders in this field Provides an overview of rotational, vibration, electronic and photoelectron spectroscopy Volume 1 - Introduction: Fundamentals of Molecular Spectroscopy Volume 2 - High-Resolution Molecular Spectroscopy: Methods and Results Volume 3 - Special Methods & Applications
Download or read book Recent Advances in Density Functional Methods written by Delano Pun Chong and published by World Scientific. This book was released on 1995 with total page 344 pages. Available in PDF, EPUB and Kindle. Book excerpt: Of all the different areas in computational chemistry, density functional theory (DFT) enjoys the most rapid development. Even at the level of the local density approximation (LDA), which is computationally less demanding, DFT can usually provide better answers than Hartree-Fock formalism for large systems such as clusters and solids. For atoms and molecules, the results from DFT often rival those obtained by ab initio quantum chemistry, partly because larger basis sets can be used. Such encouraging results have in turn stimulated workers to further investigate the formal theory as well as the computational methodology of DFT.This Part II expands on the methodology and applications of DFT. Some of the chapters report on the latest developments (since the publication of Part I in 1995), while others extend the applications to wider range of molecules and their environments. Together, this and other recent review volumes on DFT show that DFT provides an efficient and accurate alternative to traditional quantum chemical methods. Such demonstration should hopefully stimulate frutiful developments in formal theory, better exchange-correlation functionals, and linear scaling methodology.
Download or read book Spectroscopy and Modeling of Biomolecular Building Blocks written by Jean-Pierre Schermann and published by Elsevier. This book was released on 2007-10-16 with total page 499 pages. Available in PDF, EPUB and Kindle. Book excerpt: Spectroscopy and Modeling of Biomolecular Building Blocks presents an overview of recent advances in the intertwining of the following research fields: photon and electron spectroscopy, quantum chemistry, modelling and mass-spectrometry. The coupling of these disciplines offers a new point of view to the understanding of isolated elementary building blocks of biomolecules and their assemblies. It allows the unambiguous separation between intrinsic properties of biomolecular systems and those induced by the presence of their environment. The first chapters provide background in modelling (I), frequency-resolved spectroscopy using microwave, infrared and UV photons, time-resolved spectroscopy in the femtosecond domain and energy-resolved electron spectroscopy (II) and production of gas-phase neutral and ionic biomolecular species, mass-spectrometry, ion mobility and BIRD techniques (III). Chapter IV is devoted to case studies of gas-phase experimental investigations coupled to quantum or classical calculations. The topics are structural studies of nucleobases and oligonucleotides, peptides and proteins, sugars; neuromolecules; non-covalent complexes; chiral systems, interactions of low-energy electrons with biomolecules in the radiation chemistry context and very large gas-phase biomolecular systems. The fifth chapter concerns the link between gas-phase and liquid-phase. Different treatments of solvation are illustrated through examples pointing out the influence of progressive addition of water molecules upon properties of nucleobases, peptides, sugars and neuromolecules. Offer a new perspective to the understanding of isolated elementary building blocks of bio molecules Includes case studies of experimental investigations coupled to quantum or classical calculations
Download or read book Applications of EPR in Radiation Research written by Anders Lund and published by Springer. This book was released on 2014-10-20 with total page 766 pages. Available in PDF, EPUB and Kindle. Book excerpt: Applications of EPR in Radiation Research is a multi-author contributed volume presented in eight themes: I. Elementary radiation processes (in situ and low temperature radiolysis, quantum solids); II: Solid state radiation chemistry (crystalline, amorphous and heterogeneous systems); III: Biochemistry, biophysics and biology applications (radicals in biomaterials, spin trapping, free-radical-induced DNA damage); IV: Materials science (polymeric and electronic materials, materials for treatment of nuclear waste, irradiated food); V: Radiation metrology (EPR-dosimetry, retrospective and medical applications); VI: Geological dating; VII: Advanced techniques (PELDOR, ESE and ENDOR spectroscopy, matrix isolation); VIII: Theoretical tools (density-functional calculations, spectrum simulations).
Download or read book Molecular Spectroscopy and Quantum Dynamics written by Roberto Marquardt and published by Elsevier. This book was released on 2020-09-18 with total page 376 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular Spectroscopy and Quantum Dynamics, an exciting new work edited by Professors Martin Quack and Roberto Marquardt, contains comprehensive information on the current state-of-the-art experimental and theoretical methods and techniques used to unravel ultra-fast phenomena in atoms, molecules and condensed matter, along with future perspectives on the field. Contains new insights into the quantum dynamics and spectroscopy of electronic and nuclear motion Presents the most recent developments in the detection and interpretation of ultra-fast phenomena Includes a discussion of the importance of these phenomena for the understanding of chemical reaction dynamics and kinetics in relation to molecular spectra and structure
Download or read book Orbital Interaction Theory of Organic Chemistry written by Arvi Rauk and published by John Wiley & Sons. This book was released on 2004-04-07 with total page 360 pages. Available in PDF, EPUB and Kindle. Book excerpt: A practical introduction to orbital interaction theory and its applications in modern organic chemistry Orbital interaction theory is a conceptual construct that lies at the very heart of modern organic chemistry. Comprising a comprehensive set of principles for explaining chemical reactivity, orbital interaction theory originates in a rigorous theory of electronic structure that also provides the basis for the powerful computational models and techniques with which chemists seek to describe and exploit the structures and thermodynamic and kinetic stabilities of molecules. Orbital Interaction Theory of Organic Chemistry, Second Edition introduces students to the fascinating world of organic chemistry at the mechanistic level with a thoroughly self-contained, well-integrated exposition of orbital interaction theory and its applications in modern organic chemistry. Professor Rauk reviews the concepts of symmetry and orbital theory, and explains reactivity in common functional groups and reactive intermediates in terms of orbital interaction theory. Aided by numerous examples and worked problems, he guides readers through basic chemistry concepts, such as acid and base strength, nucleophilicity, electrophilicity, and thermal stability (in terms of orbital interactions), and describes various computational models for describing those interactions. Updated and expanded, this latest edition of Orbital Interaction Theory of Organic Chemistry includes a completely new chapter on organometallics, increased coverage of density functional theory, many new application examples, and worked problems. The text is complemented by an interactive computer program that displays orbitals graphically and is available through a link to a Web site. Orbital Interaction Theory of Organic Chemistry, Second Edition is an excellent text for advanced-level undergraduate and graduate students in organic chemistry. It is also a valuable working resource for professional chemists seeking guidance on interpreting the quantitative data produced by modern computational chemists.
Download or read book Encyclopedia of Biology written by Don Rittner and published by Infobase Publishing. This book was released on 2004-08 with total page 417 pages. Available in PDF, EPUB and Kindle. Book excerpt: Contains approximately 800 alphabetical entries, prose essays on important topics, line illustrations, and black-and-white photographs.
Download or read book ACS Style Guide written by Anne M. Coghill and published by American Chemical Society. This book was released on 2006 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: In the time since the second edition of The ACS Style Guide was published, the rapid growth of electronic communication has dramatically changed the scientific, technical, and medical (STM) publication world. This dynamic mode of dissemination is enabling scientists, engineers, and medicalpractitioners all over the world to obtain and transmit information quickly and easily. An essential constant in this changing environment is the requirement that information remain accurate, clear, unambiguous, and ethically sound.This extensive revision of The ACS Style Guide thoroughly examines electronic tools now available to assist STM writers in preparing manuscripts and communicating with publishers. Valuable updates include discussions of markup languages, citation of electronic sources, online submission ofmanuscripts, and preparation of figures, tables, and structures. In keeping current with the changing environment, this edition also contains references to many resources on the internet.With this wealth of new information, The ACS Style Guide's Third Edition continues its long tradition of providing invaluable insight on ethics in scientific communication, the editorial process, copyright, conventions in chemistry, grammar, punctuation, spelling, and writing style for any STMauthor, reviewer, or editor. The Third Edition is the definitive source for all information needed to write, review, submit, and edit scholarly and scientific manuscripts.
Download or read book Handbook of Nuclear Chemistry written by Attila Vértes and published by Springer Science & Business Media. This book was released on 2003 with total page 422 pages. Available in PDF, EPUB and Kindle. Book excerpt: Impressive in its overall size and scope, this five-volume reference work provides researchers with the tools to push them into the forefront of the latest research. The Handbook covers all of the chemical aspects of nuclear science starting from the physical basics and including such diverse areas as the chemistry of transactinides and exotic atoms as well as radioactive waste management and radiopharmaceutical chemistry relevant to nuclear medicine. The nuclear methods of the investigation of chemical structure also receive ample space and attention. The international team of authors consists of 77 world-renowned experts - nuclear chemists, radiopharmaceutical chemists and physicists - from Austria, Belgium, Germany, Great Britain, Hungary, Holland, Japan, Russia, Sweden, Switzerland and the United States. The Handbook is an invaluable reference for nuclear scientists, biologists, chemists, physicists, physicians practicing nuclear medicine, graduate students and teachers - virtually all who are involved in the chemical and radiopharmaceutical aspects of nuclear science. The Handbook also provides for further reading through its rich selection of references.
Download or read book Physics of and Science with X Ray Free Electron Lasers written by J. Hastings and published by IOS Press. This book was released on 2020-12-18 with total page 272 pages. Available in PDF, EPUB and Kindle. Book excerpt: Many X-Ray Free-Electron Lasers (X-FELs) have been designed, built and commissioned since the first lasing of the Linac Coherent Light Source in the hard and soft X-ray regions, and great progress has been made in improving their performance and extending their capabilities. Meanwhile, experimental techniques to exploit the unique properties of X-FELs to explore atomic and molecular systems of interest to physics, chemistry, biology and the material sciences have also been developed. As a result, our knowledge of atomic and molecular science has been greatly extended. Nevertheless, there is still much to be accomplished, and the potential for discovery with X-FELs is still largely unexplored. The next generation of scientists will need to be well versed in both particle beams/FEL physics and X-ray photon science. This book presents material from the Enrico Fermi summer school: Physics of and Science with X-Ray Free-Electron Lasers, held at the Enrico Fermi International School of Physics in Varenna, Italy, from 26 June - 1 July 2017. The lectures presented at the school were aimed at introducing graduate students and young scientists to this fast growing and exciting scientific area, and subjects covered include basic accelerator and FEL physics, as well as an introduction to the main research topics in X-FEL-based biology, atomic molecular optical science, material sciences, high-energy density physics and chemistry. Bridging the gap between accelerator/FEL physicists and scientists from other disciplines, the book will be of interest to all those working in the field.
