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Investigation Of Vibrational Dynamics In Alcohol Acid Complexes And Of Monohydrates Via Ftir And Raman Spectroscopy
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Book Synopsis Investigation of Vibrational Dynamics in Alcohol-acid Complexes and of Monohydrates Via FTIR and Raman Spectroscopy by : Sophie Marleen Schweer
Download or read book Investigation of Vibrational Dynamics in Alcohol-acid Complexes and of Monohydrates Via FTIR and Raman Spectroscopy written by Sophie Marleen Schweer and published by . This book was released on 2024 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: The vibrational dynamics of complexes between carboxylic acids with alcohols is investigated using Raman and FTIR jet spectroscopy combined with quantum chemical calculations. These complexes bind via intermolecular interactions and build a double hydrogen bonded cyclic structure. Within these complexes, different dynamics are ongoing, e.g. couplings with dark states or a nearly degenerate double proton transfer between the constituents within the cyclic hydrogen-bonded 1:1 complex. Because of the nature of the substrates, it is possible that esterification takes place and monohydrate forma...
Book Synopsis Vibrational Dynamics of Formic Acid and Its Dimer: FTIR and Raman Jet Spectroscopy and Theory by : Arman Nejad
Download or read book Vibrational Dynamics of Formic Acid and Its Dimer: FTIR and Raman Jet Spectroscopy and Theory written by Arman Nejad and published by . This book was released on 2022 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: The vibrational spectroscopy of formic acid and its dimer (including deuterated isotopologues) is investigated using Raman and FTIR jet spectroscopy. The vibrational spectroscopic record of monomeric formic acid is reviewed, corrected, and extended. The monomer database has been digitised and can be found online (https://qmbench.net). The intramolecular vibrational fingerprint spectra of formic acid dimer (FAD) are revisited, bridging the gap between the completed intermolecular van der Waals and intramolecular carbonyl stretching region, providing a plethora of environment-free combination...
Book Synopsis Coherent Vibrational Dynamics by : Guglielmo Lanzani
Download or read book Coherent Vibrational Dynamics written by Guglielmo Lanzani and published by CRC Press. This book was released on 2007-11-29 with total page 286 pages. Available in PDF, EPUB and Kindle. Book excerpt: Remarkable developments in the spectroscopy field regarding ultrashort pulse generation have led to the possibility of producing light pulses ranging from 50 to5 fs and frequency tunable from the near infrared to the ultraviolet range. Such pulses enable us to follow the coupling of vibrational motion to the electronic transitions in molecules and
Book Synopsis Theoretical Modeling of Vibrational Spectra in the Liquid Phase by : Martin Thomas
Download or read book Theoretical Modeling of Vibrational Spectra in the Liquid Phase written by Martin Thomas and published by Springer. This book was released on 2016-12-24 with total page 212 pages. Available in PDF, EPUB and Kindle. Book excerpt: This thesis provides a comprehensive description of methods used to compute the vibrational spectra of liquid systems by molecular dynamics simulations. The author systematically introduces theoretical basics and discusses the implications of approximating the atomic nuclei as classical particles. The strengths of the methodology are demonstrated through several different examples. Of particular interest are ionic liquids, since their properties are governed by strong and diverse intermolecular interactions in the liquid state. As a novel contribution to the field, the author presents an alternative route toward infrared and Raman intensities on the basis of a Voronoi tessellation of the electron density. This technique is superior to existing approaches regarding the computational resources needed. Moreover, this book presents an innovative approach to obtaining the magnetic moments and vibrational circular dichroism spectra of liquids, and demonstrates its excellent agreement with experimental reference data.
Book Synopsis Vibrational Dynamics Of Molecules by : Joel M Bowman
Download or read book Vibrational Dynamics Of Molecules written by Joel M Bowman and published by World Scientific. This book was released on 2022-06-14 with total page 603 pages. Available in PDF, EPUB and Kindle. Book excerpt: Vibrational Dynamics of Molecules represents the definitive concise text on the cutting-edge field of vibrational molecular chemistry. The chapter contributors are a Who's Who of world leaders in the field. The editor, Joel Bowman, is widely considered as one of the founding fathers of theoretical reaction dynamics. The included topics span the field, from fundamental theory such as collocation methods and vibrational CI methods, to interesting applications such as astrochemistry, supramolecular systems and virtual computational spectroscopy. This is a useful reference for theoretical chemists, spectroscopists, physicists, undergraduate and graduate students, lecturers and software developers.
Book Synopsis Vibrational Spectroscopy at Electrified Interfaces by : Andrzej Wieckowski
Download or read book Vibrational Spectroscopy at Electrified Interfaces written by Andrzej Wieckowski and published by John Wiley & Sons. This book was released on 2013-07-15 with total page 396 pages. Available in PDF, EPUB and Kindle. Book excerpt: Reviews the latest theory, techniques, and applications Surface vibrational spectroscopy techniques probe the structure and composition of interfaces at the molecular level. Their versatility, coupled with their non-destructive nature, enables in-situ measurements of operating devices and the monitoring of interface-controlled processes under reactive conditions. Vibrational Spectroscopy at Electrified Interfaces explores new and emerging applications of Raman, infrared, and non-linear optical spectroscopy for the study of charged interfaces. The book draws from hundreds of findings reported in the literature over the past decade. It features an internationally respected team of authors and editors, all experts in the field of vibrational spectroscopy at surfaces and interfaces. Content is divided into three parts: Part One, Nonlinear Vibrational Spectroscopy, explores properties of interfacial water, ions, and biomolecules at charged dielectric, metal oxide, and electronically conductive metal catalyst surfaces. In addition to offering plenty of practical examples, the chapters present the latest measurement and instrumental techniques. Part Two, Raman Spectroscopy, sets forth highly sensitive approaches for the detection of biomolecules at solid-liquid interfaces as well as the use of photon depolarization strategies to elucidate molecular orientation at surfaces. Part Three, IRRAS Spectroscopy (including PM-IRRAS), reports on wide-ranging systems from small fuel molecules at well-defined surfaces to macromolecular complexes that serve as the building blocks for functional interfaces in devices designed for chemical sensing and electric power generation. The Wiley Series on Electrocatalysis and Electrochemistry is dedicated to reviewing important advances in the field, exploring how these advances affect industry. The series defines what we currently know and can do with our knowledge of electrocatalysis and electrochemistry as well as forecasts where we can expect the field to be in the future.
Book Synopsis Molecular Vibrations by : E. Bright Wilson
Download or read book Molecular Vibrations written by E. Bright Wilson and published by Courier Corporation. This book was released on 2012-05-11 with total page 418 pages. Available in PDF, EPUB and Kindle. Book excerpt: Pedagogical classic and essential reference focuses on mathematics of detailed vibrational analyses of polyatomic molecules, advancing from application of wave mechanics to potential functions and methods of solving secular determinant.
Book Synopsis Vibrational-rotational Spectroscopy And Molecular Dynamics by : Dusan Papousek
Download or read book Vibrational-rotational Spectroscopy And Molecular Dynamics written by Dusan Papousek and published by World Scientific. This book was released on 1997-10-31 with total page 576 pages. Available in PDF, EPUB and Kindle. Book excerpt: The book reviews the results of vibration-rotational spectroscopy of molecules obtained recently by combining modern computational methods of quantum chemistry with the new techniques of high-resolution rotational and vibration-rotational spectroscopy. It shows for example that the tunneling vibration-rotational spectroscopy of the van der Waals complexes provides a new look at intermolecular forces while the high precision and sensitivity of the submillimeter-wave and Fourier transform microwave spectroscopy make it possible to study complex rotational spectra of molecules in excited vibrational states. New results of high level ab initio quantum chemical computations of vibrational and rotational energy levels and dipole moment functions of unusual molecules will be discussed together with the recent discovery of clustering of energy levels in asymmetric tops. Group theoretical analysis of floppy molecules, especially the tunneling effects in nonrigid molecules, will also be discussed.
Book Synopsis Vibrational Spectroscopy of Molecules on Surfaces by : Theodore E. Madey
Download or read book Vibrational Spectroscopy of Molecules on Surfaces written by Theodore E. Madey and published by Springer Science & Business Media. This book was released on 2013-11-11 with total page 478 pages. Available in PDF, EPUB and Kindle. Book excerpt: The observation of the vibrational spectra of adsorbed species provides one of the most incisive methods for und erst an ding chemical and physical phenomena on surfaces. At the present time, many approaches may be applied to studies of molecular vibrations on surfaces. Some of these are used on high-area solids of technological importance (e.g., heterogeneous catalysts) while others are applied to single-crystal substrates to gain better understanding under conditions of controlled surface structure. This book has attempted to bring together in one place a discussion of the major methods used to measure vibrational spectra of surface species. The emphasis is on basic concepts and experimental methods rather than a current survey of the extensive literature in this field. Two introductory chapters describe the basic theoretical aspects of vibrational spectroscopy on surfaces, dealing with normal modes and excitation mechanisms in vibrational spectroscopy. The remaining seven chapters deal with various methods employed to observe surface vibra tions. These are arranged in an order that first treats the use of various methods on surfaces that are not of the single-crystal type. It is in this area that the field first got started in the late 1940s with pioneering work by Terenin and others in the Soviet Union, and by Eisehens and others in the United States in the 1950s. The last four chapters deal with relatively recent methods that permit vibrational studies to be made on single crystal substrates.
Book Synopsis Vibrational Spectra of Organometallics by : Edward Maslowsky, Jr.
Download or read book Vibrational Spectra of Organometallics written by Edward Maslowsky, Jr. and published by John Wiley & Sons. This book was released on 2018-12-10 with total page 736 pages. Available in PDF, EPUB and Kindle. Book excerpt: A comprehensive compilation of the available experimental and theoretical vibrational data for organometallic compounds and its role in evaluating the structures, bonding, and properties of these key compounds This unique book offers a thorough review of the literature dealing with vibrational data obtained using various phases, including matrices, reported for organometallic compounds from infrared spectra, Raman spectra, and several other techniques. It is the only one that compiles the available experimental and theoretical vibrational data on these compounds, and which discusses the importance of this information and its role in evaluating structures, bonding, and other important properties. It also treats the use of DFT and other theoretical calculations to analyze the vibrational data and to predict properties associated with these compounds. The book also includes vibrational data for organic species that form on metal and other surfaces. Vibrational Spectra of Organometallics: Theoretical and Experimental Data offers complete coverage of: Carbide, Alkylidyne, Alkylidene, Alkyl, and Alkane Derivatives; Noncyclic Carbon Clusters and Unsaturated Hydrocarbon Derivatives; and Cyclic, Unsaturated Organometallic Derivatives. By summarizing work that has already been done on organometallic compounds, it serves as an important reference for those studying their vibrational spectra and will, in the end, lead to a clearer understanding of other research that needs to be done in order to help researchers determine new research directions. An important reference for those studying the vibrational spectra of organometallic compounds Gathers the existing experimental and theoretical vibrational data and discusses its significance in assessing structures, bonding, and other principle properties Includes DFT methods for the interpretation of spectra, which has been one of the major developments of the last two decades Vibrational Spectra of Organometallics: Theoretical and Experimental Data is an important reference for researchers and practitioners in the areas of inorganic, organometallic, organic, and surface chemistry who have an interest in using vibrational data to characterize the bonding, composition, reactions, and structures of organometallic compounds, and organic species that are formed on various surfaces.
Book Synopsis Vibrational Intensities by : B.S. Galabov
Download or read book Vibrational Intensities written by B.S. Galabov and published by Elsevier. This book was released on 1996-11-22 with total page 322 pages. Available in PDF, EPUB and Kindle. Book excerpt: The current volume is a single topic volume on the vibrational intensities in the infrared and Raman spectra. Vibrational intensities in infrared and Raman spectra are important physical quantities that are directly related to the distribution and fluctuations of electric charges in the molecule. These spectral parameters can be experimentally determined with good accuracy for many molecules. Additionally, infrared and Raman intensities are presently estimated theoretically by advanced analytical derivative ab initio molecular orbital methods. These fundamental molecular quantities are being used in structural, and other studies, on a limited basis. Features of this book - Presents in a systematic way, the theoretical approaches that are used in analyzing and predicting vibrational intensities - The formalisms developed are illustrated with detailed numerical examples - Most of the theoretical models described were obtained and then applied to chosen molecules - A consistent notation is used in presenting the different theoretical approaches, thus eliminating another barrier in understanding some methods, especially those developed by the Russian spectroscopic school.
Book Synopsis Vibrational Spectroscopy At High External Pressures by : John R. Ferraro
Download or read book Vibrational Spectroscopy At High External Pressures written by John R. Ferraro and published by Elsevier. This book was released on 2012-12-02 with total page 279 pages. Available in PDF, EPUB and Kindle. Book excerpt: Vibrational Spectroscopy at High External Pressures: The Diamond Anvil Cell presents the effects of high pressure on the vibrational properties of materials as accomplished in a diamond anvil cell (DAC). The DAC serves the dual purpose of generating the pressures and being transparent to infrared radiation, allowing the observation of changes caused by pressure. The optical probes highlighted will deal principally with infrared and Raman scattering, although some observations in the visible region will also be presented. The book begins with a discussion of the effects of pressure and pressure units. This is followed by separate chapters on the instrumentation needed to study vibrational transitions under pressure and pressure calibration and various methods used to measure pressure in the DAC. Subsequent chapters deal with applications in basic areas of inorganic, coordination, and organic compounds. These include the effects of pressure on spin states and various geometries; pressure effects on organic molecules; applications in geochemistry, conductors, forensic science, and lubricants; and miscellaneous topics such as metallic hydrogen, metallic xenon, and CuCl.
Book Synopsis Vibrational Spectroscopy of Adsorbates by : R.F. Willis
Download or read book Vibrational Spectroscopy of Adsorbates written by R.F. Willis and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 195 pages. Available in PDF, EPUB and Kindle. Book excerpt: Over the past few years, there has been a growing awareness of the vibratio nal properties of solid surfaces and adsorbates due to a steady growth in the number of experimental techniques which have evolved with sufficient resolution and surface sensitivity. An understanding of the surface vibratio nal modes is of fundamental importance in many areas of the physics and chemistry of surfaces, most notably in the field of heterogeneous catalysis on metals and alloys. The present volume derives from a one day meeting of invited lectures, held under the auspices of the Thin Films and Surfaces Section of the Insti tute of Physics in the Cavendish Laboratory, University of Cambridge, 13 December 1979. The object was to bring together specialists from various diverse fields who would examine the wide variety of methods currently avail able for studying surface adsorbate vibrations. Since these methods cover several scientific disciplines, it was subsequently felt that it would be useful to provide a permanent record of the talks as a source lor future reference by workers in what is rapidly becoming an expanding field of',inter est in an increasing number of laboratories. The contributions, however, are not in any way meant to constitute exhaustive reviews.
Book Synopsis Nonequilibrium Vibrational Kinetics by : Mario Capitelli
Download or read book Nonequilibrium Vibrational Kinetics written by Mario Capitelli and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 354 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is devoted to the systematic treatment of nonequi 1 ibrium vibrational kinetics in molecular systems. Particular emphasis is given to the vibrational excitation of diatomic molecules by low-energy electrons in a discharge and by IR photons in laser-pumped systems. The book follows the different steps of the introduction, redistribution, loss, and chemical conversion of the vibrational quanta, from the points of view of the overall kinetics and the dynamics of elementary processes. These two aspects are balanced in a multidisciplinary approach. The different chapters give the basic instruments (theoretical and experimental) which are needed to understand the ki netics of nonequilibrium systems. The book will introduce the reader to different areas such as plasmachemistry, laser chemistry, IR and Raman spectroscopy, and relaxation phenomena, emphasizing how the vibrational energy affects such research fields. The chapters dedicated to collisional dynamics involving vibrational excited molecules provide an introduc tion to the modern techniques uti 1 ized in the scattering theory of inelastic and reactive collisions. The extension of the vibrational kinetics to polyatomic mole cules, discussed in Chap. 10, is the natural bridge between coll ision and coll i sionless regimes. In conclusion, we hope that the approach followed in this book will stimulate the collaboration of researchers coming from different research fields, which are too often completely separate.
Book Synopsis Vibrational Spectra: Principles and Applications with Emphasis on Optical Activity by : P.L. Polavarapu
Download or read book Vibrational Spectra: Principles and Applications with Emphasis on Optical Activity written by P.L. Polavarapu and published by Elsevier. This book was released on 1998-09-17 with total page 427 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book originated out of a desire to combine topics on vibrational absorption, Raman scattering, vibrational circular dichroism (VCD) and Raman optical activity (VROA) into one source. The theoretical details of these processes are presented in ten different chapters. Using dispersive and Fourier transform techniques, the instrumentation involved in these spectral measurements are given in three chapters. Major emphasis is placed on the newer techniques, i.e. VCD and VROA, with the conventional vibrational absorption and vibrational Raman scattering methods incorporated as natural parts of the newer methods.Features of this book:• Comprehensive coverage of vibrational circular dichroism and vibrational Raman optical activity.• Coverage of theoretical and instrumental details.• A comprehensive survey of VCD and VROA applications is included, so that the reader can get an overview of theory, instrumentation and applications in one source.The topics covered are of an advanced level, which makes this book invaluable for graduate students and practising scientists in vibrational spectroscopy.
Book Synopsis Vibrations at Surfaces by : C. R. Brundle
Download or read book Vibrations at Surfaces written by C. R. Brundle and published by Elsevier. This book was released on 2000-04-01 with total page 761 pages. Available in PDF, EPUB and Kindle. Book excerpt: Studies in Surface Science and Catalysis 14: Vibrations at Surfaces documents the proceedings of the third International Conference on ""Vibrations at Surfaces"" held at Asilomar, California, from September 1-4, 1982. Almost all of the 102 papers presented at the meeting are published in this volume. The topics chosen for the eight sessions held over a span of three days were: (I) Vibrational Frequency Shifts and Widths-Lateral Interactions; (II) Dynamical Processes at Surfaces; (III) and (IV) Electron Loss Spectroscopy; (V) Raman and Surface Enhanced Raman Scattering; (VI) Infrared Absorption and Reflection Spectroscopy; (VII) Beam Surface Scattering Surface Phonons; (VIII) Electron Tunneling Spectroscopy - Surface Enhanced Raman Studies in Electrochemistry. In addition, C. B. Duke presented an introductory keynote surveying progress in the field since the last meeting. In the final session H. Ibach and T. Grimley presented conference overviews and future prospects for the field from an experimental and theoretical perspective. Also included in the Proceedings are four literature surveys on Energy Loss, Inelastic Tunneling, Infrared and Raman (SERS) papers.
Book Synopsis Vibrational Spectroscopy of Molecular Liquids and Solids by : S. Bratos
Download or read book Vibrational Spectroscopy of Molecular Liquids and Solids written by S. Bratos and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 461 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book has its or1g1n in a NATO Summer School organized from June 25 to July 7 1979, in Menton, France. The purpose of this School was a comparative study of the various aspects of vibra tional spectroscopy in molecular liquids and solids. This field has been rapidly expanding in the last decade; unfortunately, its development took place independently for liquids and for solids. In these circumstances, the comparison of the basic concepts and techniques used in these two branches of physics appeared as a necessity. The lectures given at the Menton Advanced Study Institute, as well as the exceptionally fruitful and lively discussions which followed them confirmed this point of view. The need of putting together these lectures, in the form of a monograph, clearly appeared during the ASI and the lecturers accepted to write down the material they presented at the Institute, improved thanks to the remarks of the participants. It is the result of this collective work which appears in the familiar Plenum Series.
