Download or read book Microsolvation of Reactive Systems in the Gas Phase Via Fourier Transform Microwave Spectroscopy written by Carolyn Sue Brauer and published by . This book was released on 2006 with total page 460 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Fourier Transform Microwave Spectroscopy of Gas Phase Acids and Acid base Complexes written by Galen Sedo and published by . This book was released on 2008 with total page 448 pages. Available in PDF, EPUB and Kindle. Book excerpt: Fourier transform microwave spectroscopy, supported with ab inito and Density Functional Theory calculations, has been used to investigate gas phase acids and acid-base complexes in an effort to further our understanding of the electronic and molecular interactions occurring in these small reactive systems. The Stark effect has been measured on the 111 ← 0 00 rotational transition of the sulfuric acid monomer. The resulting dipole moment, 2.9643(67) D, represents an increase of 0.24 D over the previously reported value and is supported by high-level theoretical calculations. An examination of the CH3COOH-H2O spectrum shows an 18.6% lowering of the three-fold methyl group internal rotation barrier with the addition of a single solvent water to the acid. An argument has been made that suggests the lowering of the barrier in the acetic acid monohydrate is consistent with the structural changes in the acetic acid moiety, and the degree of proton transfer, determined from ab initio calculations, is similar to those calculated for other protic acid hydrates. The rotational spectra for the HNO3-(H2O)3 and HNO 3-N(CH3)3 complexes have also been observed. The experimental values of the 14N quadrupole coupling constants have been used to determine the degree of proton transfer away from the acid, and comparisons have been made to those determined from their optimized ab initio structures. The results show the systems to be hydrogen-bound neutral pairs with a slightly higher degree of proton transfer than similar HNO3 complexes. The microwave spectrum of the (CH3) 3CCN-SO3 complex has been observed and analysis of the data reveals a Lewis acid-base complex with intermolecular bonding nearly halfway between the van der Waal's and chemically bound limits. The properties of the complex are in good agreement with those predicted on the basis of the previously reported series of complexes formed between SO3 and a nitrogen-containing base.
Download or read book Journal written by American Chemical Society and published by . This book was released on 2003 with total page 1448 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Fundamentals of Molecular Symmetry written by P.R. Bunker and published by CRC Press. This book was released on 2018-10-03 with total page 384 pages. Available in PDF, EPUB and Kindle. Book excerpt: Winner of a 2005 CHOICE Outstanding Academic Book Award Molecular symmetry is an easily applied tool for understanding and predicting many of the properties of molecules. Traditionally, students are taught this subject using point groups derived from the equilibrium geometry of the molecule. Fundamentals of Molecular Symmetry shows how to set up symmetry groups for molecules using the more general idea of energy invariance. It is no more difficult than using molecular geometry and one obtains molecular symmetry groups. The book provides an introductory description of molecular spectroscopy and quantum mechanics as the foundation for understanding how molecular symmetry is defined and used. The approach taken gives a balanced account of using both point groups and molecular symmetry groups. Usually the point group is only useful for isolated, nonrotating molecules, executing small amplitude vibrations, with no tunneling, in isolated electronic states. However, for the chemical physicist or physical chemist who wishes to go beyond these limitations, the molecular symmetry group is almost always required.
Download or read book Gas Phase IR Spectroscopy and Structure of Biological Molecules written by Anouk M. Rijs and published by Springer. This book was released on 2015-06-03 with total page 409 pages. Available in PDF, EPUB and Kindle. Book excerpt: The series Topics in Current Chemistry presents critical reviews of the present and future trends in modern chemical research. The scope of coverage is all areas of chemical science including the interfaces with related disciplines such as biology, medicine and materials science. The goal of each thematic volume is to give the non-specialist reader, whether in academia or industry, a comprehensive insight into an area where new research is emerging which is of interest to a larger scientific audience. Each review within the volume critically surveys one aspect of that topic and places it within the context of the volume as a whole. The most significant developments of the last 5 to 10 years are presented using selected examples to illustrate the principles discussed. The coverage is not intended to be an exhaustive summary of the field or include large quantities of data, but should rather be conceptual, concentrating on the methodological thinking that will allow the non-specialist reader to understand the information presented. Contributions also offer an outlook on potential future developments in the field. Review articles for the individual volumes are invited by the volume editors. Readership: research chemists at universities or in industry, graduate students.
Download or read book Non covalent Interactions written by Pavel Hobza and published by Royal Society of Chemistry. This book was released on 2010 with total page 239 pages. Available in PDF, EPUB and Kindle. Book excerpt: Co-authored by an experimentalist (Klaus M3ller-Dethlefs ) and theoretician (Pavel Hobza), the aim of this book is to provide a general introduction into the science behind non-covalent interactions and molecular complexes using some important experimental and theoretical methods and approaches.
Download or read book 71st International Symposium on Molecular Spectroscopy written by Benjamin J. Mccall and published by Createspace Independent Publishing Platform. This book was released on 2016-05-25 with total page 302 pages. Available in PDF, EPUB and Kindle. Book excerpt: The International Symposium on Molecular Spectroscopy is the premier annual meeting in this exciting and interdisciplinary field. The symposium uniquely combines plenary talks from world leaders in the field with parallel sessions comprising shorter talks, many presented by graduate students, and fosters a collegial and collaborative atmosphere with a multitude of formal and informal interactions. Registration and housing costs are kept low to enable entire research groups to attend, and in fact most senior people in the field gave their very first conference presentation at this symposium (to a very friendly audience). A wide range of topics is covered, from theory to experiment, from gas-phase to condensed-phase, from low resolution to ultra-high resolution, from the microwave to the ultraviolet, and from fundamental science to applications such as astronomy and atmospheric science. Each year's meeting also includes three "mini-symposia" on topics of special interest.
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 Chiral Analysis written by Kenneth W. Busch and published by Elsevier. This book was released on 2011-10-13 with total page 721 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chiral Analysis covers an important area of analytical chemistry of relevance to a wide variety of scientific professionals. The target audience is scientific professionals with an undergraduate background in chemistry or a related discipline, specifically organic chemists, researchers in drug discovery, pharmaceutical researchers involved with process analysis or combinatorial libraries, and graduate students in chemistry. Chapters have been written with the nonspecialist in mind so as to be self-contained.* Broad coverage - spectroscopic and separation methods covered in a single volume* Up-to-date and detailed review of the various techniques available and/or under development in this field* Contributions from leading experts in the field
Download or read book Computational Spectroscopy written by Jörg Grunenberg and published by John Wiley & Sons. This book was released on 2011-08-24 with total page 421 pages. Available in PDF, EPUB and Kindle. Book excerpt: Unique in its comprehensive coverage of not only theoretical methods but also applications in computational spectroscopy, this ready reference and handbook compiles the developments made over the last few years, from single molecule studies to the simulation of clusters and the solid state, from organic molecules to complex inorganic systems and from basic research to commercial applications in the area of environment relevance. In so doing, it covers a multitude of apparatus-driven technologies, starting with the common and traditional spectroscopic methods, more recent developments (THz), as well as rather unusual methodologies and systems, such as the prediction of parity violation, rare gas HI complexes or theoretical spectroscopy of the transition state. With its summarized results of so many different disciplines, this timely book will be of interest to newcomers to this hot topic while equally informing experts about developments in neighboring fields.
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 Carbohydrates written by P. Finch and published by Springer Science & Business Media. This book was released on 1999-06-30 with total page 356 pages. Available in PDF, EPUB and Kindle. Book excerpt: For students with more than a passing interest in carbohydrate chemistry, scientists from Europe, North America, and New Zealand provide an overview of the current status in a number of particular areas perceived to be central at a level between basic texts and specialist treatments. They summarize the working understanding of the structure and syntheses of monosaccharide, oligosaccharide, and glycopeptide units and the properties of some important examples and derivatives including suphates and polysaccharides. Among specific topics are the conjugation of monosaccharides, oligosaccharide geometry and dynamics, shapes and interactions of polysaccharide chains, the chemistry of polysaccharide modification and degradation, and interactions between carbohydrates and proteins. Annotation copyrighted by Book News, Inc., Portland, OR
Download or read book Lasers and Mass Spectrometry written by David M. Lubman and published by Oxford University Press. This book was released on 1990-04-12 with total page 560 pages. Available in PDF, EPUB and Kindle. Book excerpt: Contributors to this volume focus on the fundamentals of the technique of analyzing material based on the atomic weight of the species, using the power and definition of lasers to enable measurement of smaller quantities and more finely localized particles. Each chapter deals with a particular application area and should be sufficient to form an entry point for the utilization of mass spectrometry by graduate students and researchers. The book provides the first full discussion of the new techniques of laser applications in the field.
Download or read book Clay Polymer Nanocomposites written by Khouloud Jlassi and published by Elsevier. This book was released on 2017-07-26 with total page 548 pages. Available in PDF, EPUB and Kindle. Book excerpt: Clay–Polymer Nanocomposites is a complete summary of the existing knowledge on this topic, from the basic concepts of synthesis and design to their applications in timely topics such as high-performance composites, environment, and energy issues. This book covers many aspects of synthesis such as in- situ polymerization within the interlamellar spacing of the clays or by reaction of pristine or pre-modified clays with reactive polymers and prepolymers. Indeed, nanocomposites can be prepared at industrial scale by melt mixing. Regardless the synthesis method, much is said in this book about the importance of theclay pre-modification step, which is demonstrated to be effective, on many occasions, in obtaining exfoliated nanocomposites. Clay–Polymer Nanocomposites reports the background to numerous characterization methods including solid state NMR, neutron scattering, diffraction and vibrational techniques as well as surface analytical methods, namely XPS, inverse gas chromatography and nitrogen adsorption to probe surface composition, wetting and textural/structural properties. Although not described in dedicated chapters, numerous X-ray diffraction patterns of clay–polymer nanocomposites and reference materials are displayed to account for the effects of intercalation and exfoliations of layered aluminosilicates. Finally, multiscale molecular simulation protocols are presenting for predicting morphologies and properties of nanostructured polymer systems with industrial relevance. As far as applications are concerned, Clay–Polymer Nanocomposites examines structural composites such as clay–epoxy and clay–biopolymers, the use of clay–polymer nanocomposites as reactive nanocomposite fillers, catalytic clay-(conductive) polymers and similar nanocomposites for the uptake of hazardous compounds or for controlled drug release, antibacterial applications, energy storage, and more. - The most comprehensive coverage of the state of the art in clay–polymer nanocomposites, from synthesis and design to opportunities and applications - Covers the various methods of characterization of clay–polymer nanocomposites - including spectroscopy, thermal analyses, and X-ray diffraction - Includes a discussion of a range of application areas, including biomedicine, energy storage, biofouling resistance, and more
Download or read book Perilla written by He-ci Yu and published by CRC Press. This book was released on 1997-11-21 with total page 210 pages. Available in PDF, EPUB and Kindle. Book excerpt: Perilla includes review articles describing the cultivation, traditional and modern applications, the chemical, pharmacological, medical and clinical studies of this plant and its active compounds. The cell culture of Perilla, the genetic control of the plant, and the isolation and structural elucidation of a number of its active compounds such as terpenoids, phenolics, glycosides, flavonoids and anthocyanins are discussed. Also reflected is the use of Perilla seed oil, containing a high degree of a-linolenic acid (n-3 fatty acid) an essential fatty acid in human nutrition and beneficial in the treatment of disease. Special focus is given to the recent development in the preparation and application of Perilla leaf extract for the treatment of allergies. This comprehensive treatment of Perilla should be of interest to everyone involved in medicinal and aromatic plant research.
Download or read book Nanodroplets written by Zhiming M. Wang and published by Springer Science & Business Media. This book was released on 2014-01-08 with total page 392 pages. Available in PDF, EPUB and Kindle. Book excerpt: Nanodroplets, the basis of complex and advanced nanostructures such as quantum rings, quantum dots and quantum dot clusters for future electronic and optoelectronic materials and devices, have attracted the interdisciplinary interest of chemists, physicists and engineers. This book combines experimental and theoretical analyses of nanosized droplets which reveal many attractive properties. Coverage includes nanodroplet synthesis, structure, unique behaviors and their nanofabrication, including chapters on focused ion beam, atomic force microscopy, molecular beam epitaxy and the "vapor-liquid- solid" route. Particular emphasis is given to the behavior of metallic nanodroplets, water nanodroplets and nanodroplets in polymer and metamaterial nanocomposites. The contributions of leading scientists and their research groups will provide readers with deeper insight into the chemical and physical mechanisms, properties, and potential applications of various nanodroplets.
Download or read book Photoionization And Photodetachment In 2 Parts written by Cheuk-yiu Ng and published by World Scientific. This book was released on 2000-06-30 with total page 684 pages. Available in PDF, EPUB and Kindle. Book excerpt: Owing to the advances of vacuum ultraviolet and ultrafast lasers and third generation synchrotron sources, the research on photoionization, photoelectrons, and photodetachment has gained much vitality in recent years. These new light sources, together with ingenious experimental techniques, such as the coincidence imaging, molecular beam, pulsed field ionization photoelectron, mass-analyzed threshold ion, and pulsed field ion pair schemes, have allowed spectroscopic, dynamic, and energetic studies of gaseous species to a new level of detail and accuracy. Profitable applications of these methods to liquids are emerging.This invaluable two-volume review consists of twenty-two chapters, focusing on recent developments in photoionization and photodetachment studies of atoms; molecules, transient species, clusters, and liquids.
