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 Nucleic Acids in the Gas Phase written by Valérie Gabelica and published by Springer. This book was released on 2014-07-28 with total page 297 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book gives physical chemists a broader view of potential biological applications of their techniques for the study of nucleic acids in the gas phase. It provides organic chemists, biophysicists, and pharmacologists with an introduction to new techniques they can use to find the answers to yet unsolved questions. Laboratory sciences have bloomed with a variety of techniques to decipher the properties of the molecules of life. This volume introduces techniques used to investigate the properties of nucleic acids in the absence of solvent. It highlights the specificities pertaining to the studies of nucleic acids, although some of the techniques can similarly be applied to the study of other biomolecules, like proteins. The first part of the book introduces the techniques, from the transfer of nucleic acids to the gas-phase, to their detailed physico-chemical investigation. Each chapter is devoted to a specific molecular property, and illustrates how various approaches (experimental and theoretical) can be combined for the interpretation. The second part of the book is devoted to applying the gas-phase approaches to solve specific questions related to the biophysics, biochemistry or pharmacology of nucleic acids.
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 Gas phase Studies of Small Hydrocarbons Organometallic Complexes and Nucleic Acids by Use of Tandem and Fourier Transform Mass Spectrometry written by David L. Vollmer and published by . This book was released on 1994 with total page 288 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Fourier Transform Microwave Spectroscopy of Weakly Bound Complexes Multi conformational Molecules and Interstellar Radicals written by Michaeleen Rose Munrow and published by . This book was released on 1999 with total page 480 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Hydrogen Bonding written by Steve Scheiner and published by Oxford University Press. This book was released on 1997-09-04 with total page 396 pages. Available in PDF, EPUB and Kindle. Book excerpt: Because of the importance of the hydrogen bond, there have been scores of insights gained about its fundamental nature by quantum chemical computations over the years. Such methods can probe subtle characteristics of the electronic structure and examine regions of the potential energy surface that are simply not accessible by experimental means. The maturation of the techniques, codes, and computer hardware have permitted calculations of unprecedented reliability and rivaling the accuracy of experimental data. This book strives first toward an appreciation of the power of quantum chemistry to analyze the deepest roots of the hydrogen bond phenomenon. It offers a systematic and understandable account of decades of such calculations, focusing on the most important findings. This book provides readers with the tools to understand the original literature, and to perhaps carry out some calculations of their very own on systems of interest.
Download or read book Structure Data of Free Polyatomic Molecules written by Natalja Vogt and published by Springer Nature. This book was released on 2020-01-02 with total page 926 pages. Available in PDF, EPUB and Kindle. Book excerpt: This handbook presents structural data on free polyatomic molecules. Since the structure of molecules defines the chemical, physical and biological properties of matter, this information is crucial for understanding, explaining and predicting chemical reactions and biochemical processes, developing new drugs and materials as well as studying interstellar media. Covering the structural data published between 2009 and 2017, this book supplements the previous Landolt–Börnstein volumes “Structure Data of Free Polyatomic Molecules” (eds. K. Kuchitsu, N. Vogt, M. Tanimoto), which included data from the literature published up to 2008. It systematizes and describes peculiarities of molecular structures for about 1000 compounds studied mainly by gas-phase electron diffraction and rotational spectroscopy. All structures are given in three-dimensional representations.
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 Mass Spectrometry of Nucleosides and Nucleic Acids written by Joseph H. Banoub and published by CRC Press. This book was released on 2009-12-21 with total page 506 pages. Available in PDF, EPUB and Kindle. Book excerpt: Assembling the work of an international panel of researchers, Mass Spectrometry of Nucleosides and Nucleic Acids summarizes and reviews the latest developments in the field and provides a window on the next generation of analysis. Beginning with an overview of recent developments, the book highlights the most popular ionization methods and illustra
Download or read book Fourier Transform Microwave Spectroscopy of Van Der Waals Complexes of Closed and Open shell Molecules written by Martin Schäfer (Chemiker.) and published by . This book was released on 1999 with total page 118 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Fourier Transform Microwave Spectroscopy of Van Der Waals Complexes of Closed and Open shell Molecules written by Martin Schäfer and published by . This book was released on 1999 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Fourier transform Microwave Spectroscopy written by Robb Jefferson Wilson and published by . This book was released on 1998 with total page 318 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Fourier transform Microwave Spectroscopy of Cyclopropylmethylgermane and Van Der Waals Complexes of Fluorinated Methanes written by Michal M. Serafin and published by . This book was released on 2008 with total page 126 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book An Assessment of the National Institute of Standards and Technology Programs written by National Research Council (U.S.). Board on Assessment of NIST Programs and published by National Academies. This book was released on 1992 with total page 292 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Gas Phase Structure Characterization Using Fourier Transform Ion Cyclotron Resonance Mass Spectrometry written by Anupriy and published by . This book was released on 2016 with total page 105 pages. Available in PDF, EPUB and Kindle. Book excerpt: This dissertation investigates Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS) based techniques to study the impact of molecular structure on conformation and binding energetics. A novel method to determine collison cross sectional areas using FTICR (CRAFTI), initially developed by the Dearden lab, was applied to study the conformations of molecular systems with unique structural attributes in an attempt to explore the molecular range of CRAFTI. The systems chosen for CRAFTI studies include crown-ether alkylammonium complexes and biogenic amino acids. The results were found to be consistent with expected behavior, and strongly correlated with experimental measurements made using ion mobility spectrometry (IMS) and predictions from computations. The analytical sensitivity of CRAFTI was highlighted by its ability to distinguish the normal and branched structural isomers of butylamine. Besides conformation characterization, quantitative evaluation of binding was undertaken on metal ion-cryptand complexes on the FTICR instrument using sustained off-resonance irradiation –collision-induced dissociation (SORI CID) method. Complex formation and dissociation was found to be a strong function of both guest and host sizes which impacted steric selectivity, and polarizability. The results demonstrate the ability of FTICR to simultaneously determine structure, conformation and binding thereby providing comprehensive molecular characterization.
Download or read book Fourier Transform Microwave Spectroscopy of Multiconformational Molecules and Van Der Waals Complexes written by Angela R. Hight Walker and published by . This book was released on 1994 with total page 328 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book 4D Visualization of Matter written by Ahmed H Zewail and published by World Scientific Publishing Company. This book was released on 2014-09-12 with total page 426 pages. Available in PDF, EPUB and Kindle. Book excerpt: Ever since the beginning of mankind's efforts to pursue scientific inquiry into the laws of nature, visualization of the very distant and the very small has been paramount. The examples are numerous. A century ago, the atom appeared mysterious, a “raisin or plum pie of no structure,” until it was visualized on the appropriate length and time scales. Similarly, with telescopic observations, a central dogma of the cosmos was changed and complexity yielded to simplicity of the heliocentric structure and motion in our solar system. For matter, in over a century of developments, major advances have been made to explore the inner microscopic structures and dynamics. These advances have benefited many fields of endeavor, but visualization was incomplete; it was limited either to the 3D spatial structure or to the 1D temporal evolution. However, in systems with myriads of atoms, 4D spatiotemporal visualization is essential for dissecting their complexity. The biological world is rich with examples, and many molecular diseases cannot be fully understood without such direct visualization, as, for example, in the case of Alzheimer's and Parkinson's. The same is true for phenomena in materials science, chemistry, and nanoscience. This anthology is an account of the collected works that have emerged over the past decade from Caltech. Through recent publications, the volume provides overviews of the principles, the electron-based techniques, and the applications made. Thanks to advances in imaging principles and technology, it is now possible with 4D electron microscopy to reach ten orders of magnitude improvement in time resolution while simultaneously conserving the atomic spatial resolution in visualization. This is certainly a long way from Robert Hooke's microscopy, which was recorded in his 1665 masterpiece Micrographia.
