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Book High Resolution Spectroscopic Studies of Metal containing Molecules

Download or read book High Resolution Spectroscopic Studies of Metal containing Molecules written by Li Baozhong and published by . This book was released on 1997 with total page 150 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Book High resolution Laboratory Spectroscopy of Transient Metal containing Molecules

Download or read book High resolution Laboratory Spectroscopy of Transient Metal containing Molecules written by Shanshan Yu and published by . This book was released on 2007 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:

Book Frontiers and Advances in Molecular Spectroscopy

Download or read book Frontiers and Advances in Molecular Spectroscopy written by Jaan Laane and published by Elsevier. This book was released on 2017-11-13 with total page 788 pages. Available in PDF, EPUB and Kindle. Book excerpt: Frontiers and Advances in Molecular Spectroscopy once again brings together the most eminent scientists from around the world to describe their work at the cutting-edge of molecular spectroscopy. Much of what we know about atoms, molecules and the nature of matter has been obtained using spectroscopy over the last one hundred years or so. Going far beyond the topics discussed in Jaan Laane’s earlier book on the subject, these chapters describe new methodologies and applications, instrumental developments and theory, which are taking spectroscopy into still new frontiers. The robust range of topics once again demonstrates the wide utility of spectroscopic techniques. New topics include ultrafast spectroscopy of the transition state, SERS/far-uv spectroscopy, femtosecond coherent anti-Stokes Raman spectroscopy, high-resolution laser induced fluorescence spectroscopy, Raman spectroscopy and biosensors, vibrational optical activity, ultrafast two-dimensional spectroscopy, biology with x-ray lasers, isomerization dynamics and hydrogen bonding, single molecule imaging, spectra of intermediates, matrix isolation spectroscopy and more. Covers spectroscopic investigations on the cutting edge of science Written and edited by leading experts in their respective fields Allows researchers to access a broad range of essential modern spectroscopy content from a single source rather than wading through hundreds of scattered journal articles

Book High Resolution Spectroscopy of Metal containing Molecules and Construction of Resonance enhanced Multi photon Ionization Time of flight Mass Spectrometer  REMPI TOFMS

Download or read book High Resolution Spectroscopy of Metal containing Molecules and Construction of Resonance enhanced Multi photon Ionization Time of flight Mass Spectrometer REMPI TOFMS written by Fang Wang and published by . This book was released on 2012 with total page 138 pages. Available in PDF, EPUB and Kindle. Book excerpt: This thesis describes the studies for two groups of molecules in the gas-phase: (a) copper monofluoride (CuF) and copper hydroxide (CuOH); (b) thorium monoxide (ThO) and tungsten carbide (WC). Copper-containing molecules (Group a) are selected to investigate the ionic bonding in transition metal-containing molecules because they have a relatively simple electronic state distribution due to the nearly filled 3d-orbital. ThO and WC (Group b) are in support of particle physics for the determination of electron electric dipole moment (eEDM), de2, the existence of which indicates new physics beyond the Standard Model. The determination of the tiny eEDM requires large electric fields applied to the electron. The 3(Delta)1 states for heavy polar molecules were proposed [E.R. Meyer, J.L. Bohn, and M.P. Deskevich, Phys. Rev. A73, 062108 (2006)] to determine de with the following attractive features: (1) large electric dipole moments; (2) large internal electric fields, Eeff, experienced by valence electrons; (3) nearly degenerate omega-doublets; (4) extremely small magnetic dipole moments. The H3(Delta)1 state for ThO and the X3(Delta)1 state for WC are both good candidates. Spectroscopic parameters (i.e. molecular electric and magnetic dipole moments, omega-doubling parameters, etc) are required for the 3(Delta)1 states of ThO and WC. High resolution optical spectra (linewidth ~50 MHz) of CuF, CuOH, ThO and WC were recorded field-free and in the presence of a static electric field (or magnetic field) using laser ablation source/supersonic expansion and laser induced fluorescence (LIF) detection. The spectra were modeled by a zero-field effective Hamiltonian operator and a Stark (or Zeeman) Hamiltonian operator with various molecular parameters. The determined molecular parameters are compared to theoretical predictions. The small omega-doubling parameter was well determined using the pump/probe microwave optical double resonance (PPMODR) technique with a much higher resolution (linewidth ~60 kHz) than optical spectroscopy. In addition to the above mentioned studies of the two groups of molecules, a resonance enhanced multi-photon ionization (REMPI) combined with a time-of-flight mass spectrometer (TOFMS) has been developed to identify the molecules responsible for observed LIF signals. The operation of this spectrometer has been tested by recording the mass spectrum of Ti/O2 and the REMPI spectrum for TiO using a two-color excitation scheme.

Book High Resolution Spectroscopy of Transient Molecules

Download or read book High Resolution Spectroscopy of Transient Molecules written by Eizi Hirota and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 245 pages. Available in PDF, EPUB and Kindle. Book excerpt: It is a great challenge in chemistry to clarify every detail of reaction processes. In older days chemists mixed starting materials in a flask and took the resul tants out of it after a while, leaving all the intermediate steps uncleared as a sort of black box. One had to be content with only changing temperature and pressure to accelerate or decelerate chemical reactions, and there was almost no hope of initiating new reactions. However, a number of new techniques and new methods have been introduced and have provided us with a clue to the examination of the black box of chemical reaction. Flash photolysis, which was invented in the 1950s, is such an example; this method has been combined with high-resolution electronic spectroscopy with photographic recording of the spectra to provide a large amount of precise and detailed data on transient molecules which occur as intermediates during the course of chemical reac tions. In 1960 a fundamentally new light source was devised, i. e. , the laser. When the present author and coworkers started high-resolution spectroscopic stud ies of transient molecules at a new research institute, the Institute for Molecu lar Science in Okazaki in 1975, the time was right to exploit this new light source and its microwave precursor in order to shed light on the black box.

Book High Resolution Spectroscopy of Transition Metal Containing Free Radicals  Investigating High Angular Momentum States

Download or read book High Resolution Spectroscopy of Transition Metal Containing Free Radicals Investigating High Angular Momentum States written by Michael Aaron Flory and published by . This book was released on with total page 624 pages. Available in PDF, EPUB and Kindle. Book excerpt: Small diatomic and triatomic 3d transition metal species are excellent model systems for understanding metal-ligand interactions important to larger complexes. Because of the unpaired 3d electrons, these radicals often occur in states with high angular momentum (electron spin, orbital, or nuclear spin). Three questions are particularly relevant to studying monosubstituted 3d metal compounds. What are the fundamental geometric, bonding, and electronic properties? How accurately does currentquantum mechanical theory describe the interactions in high spin states? Assuming these molecules may be present in the interstellar medium, what are the precise transition frequencies that can be used for radioastronomy?To answer these questions, pure rotational spectroscopy has been applied to eleven simple molecules containing 3d transition metals. The small radicals were synthesized in the gas phase and examined in situ. Both direct absorption, submillimeter spectroscopy and Fourier transform microwave spectroscopy were used to cover thefrequency range 8-660 GHz. New synthetic techniques, including oven-insulating methods, use of a longitudinal AC discharge, and emphasis on organometallic precursors, were developed to improve reaction yields. Spectra were recorded for four categories of 3d metal compounds: vanadium molecules, cobalt radicals, zinc species, and several monocyanides. Frequently, the data exhibited signs of perturbations either from low-lyingexcited electronic states, a common feature with 3d electrons, or from avoided crossings of hyperfine levels. The data were analyzed using effective Hamiltonians, and spectroscopic constants have been determined for rotational, fine structure, and hyperfine interactions. The measurements haveprovided transition frequencies as references for astronomical studies; these values are accurate to within 50 kHz for direct measurements and usually within 100 kHz for frequencies calculated from determined molecular constants. Rotational constants have been used to establish precise molecular geometries. Fine structure and hyperfine data provided insight into 3d metal bonding properties (molecular orbital composition and electron distribution) and structure of electronic state manifolds. In some cases, it was necessary to develop new terms for the Hamiltonian expressions to accurately describe the interactions observed in the spectra. These terms include deperturbation parameters and the first complete description of lambda-doubling for Phi states.

Book Spectroscopy in Inorganic Chemistry V1

Download or read book Spectroscopy in Inorganic Chemistry V1 written by C.N.R. Rao and published by Elsevier. This book was released on 2012-12-02 with total page 425 pages. Available in PDF, EPUB and Kindle. Book excerpt: Spectroscopy in Inorganic Chemistry, Volume I describes the innovations in various spectroscopic methods that are particularly effective in inorganic chemistry studies. This volume contains nine chapters; each chapter discusses a specific spectroscopic method, their fundamental principles, methods, instrumentation, advantages disadvantages, and application. Chapter 1 covers some of the general principles and experiments that have been used in the recording and interpretation of crystal spectra of molecules that contain transition-metal ions. Chapter 2 illustrates the application of spectroscopic techniques to the photochemistry of small inorganic molecules, non-transition-metal compounds, and transition-metal complexes. The remaining chapters examine several spectroscopic methods, such as matrix isolation, mass, soft X-ray, and Mössbauer spectroscopies, high-resolution NMR, and nuclear quadrupole resonance, with a particular emphasis on their effective application in inorganic chemistry studies. This book will be of great benefit to inorganic chemists, spectroscopists, and inorganic chemistry teachers and students.

Book High Resolution Spectroscopy of Transient Metal containing Diatomic Molecules

Download or read book High Resolution Spectroscopy of Transient Metal containing Diatomic Molecules written by Jamie Jerome Gengler and published by . This book was released on 2007 with total page 329 pages. Available in PDF, EPUB and Kindle. Book excerpt: The near-infrared and visible band systems of the diatomic molecules CaH, FeO, ScS, MnH, RhO, and RhN have been studied utilizing high resolution spectroscopy. Most of these metal-containing species are free radicals and as such provide edifying spectra from which information regarding electronic structure can be gleaned. Directly accessible phenomena modeled by effective Hamiltonian methods are molecular rotation, spin-orbit, spin-spin, spin-rotation, lambda-doubling, magnetic hyperfine interactions, and electric quadrupole interactions. In the case of CaH a deperturbation analysis was performed and in the case of RhN isotopic substitution was analyzed. For CaH, FeO, RhO, and RhN, the application of an external static electric field i.e. Stark effect) allowed determination of permanent electric dipole moments of the ground and excited states probed. For CaH and MnH, the application of an external static magnetic field (i.e. Zeeman effect) allowed determination of effective g-factors. Parameters obtained from the data indirectly allow a description of the molecular orbitals involved, and were also compared to ab initio calculations. Due to the transient nature of these gas phase molecules, production was accomplished via laser ablation of a metal sample and introduction of an appropriate reagent gas. Subsequent supersonic expansion and molecular beam formation then allowed probing of the molecules by Laser Induced Fluorescence (LIF). High-resolution spectra were facilitated by a Continuous-Wave (CW) ring laser. Complementary to this, low or medium resolution spectra were obtained with a pulsed-dye laser (controlled via a homemade Visual Basic 6.0 computer program). Several previously unobserved band systems have been detected as part of a project involving survey scans of Rh metal plus various gas reagents including CH4, SF6, NH3, and D2.

Book Scientific and Technical Aerospace Reports

Download or read book Scientific and Technical Aerospace Reports written by and published by . This book was released on 1995 with total page 702 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Book Metals in Biology

    Book Details:
  • Author : Graeme Hanson
  • Publisher : Springer
  • Release : 2010-03-11
  • ISBN : 1441911391
  • Pages : 427 pages

Download or read book Metals in Biology written by Graeme Hanson and published by Springer. This book was released on 2010-03-11 with total page 427 pages. Available in PDF, EPUB and Kindle. Book excerpt: Metal ions in biology is an ever expanding area in science and medicine involving metal ions in proteins and enzymes, their biosynthesis, catalysis, electron transfer, metal ion trafficking, gene regulation and disease. While X-ray crystallography has provided snapshots of the geometric structures of the active site redox cofactors in these proteins, the application of high resolution EPR spectroscopy in conjunction with quantum chemistry calculations has enabled, in many cases, a detailed understanding of a metalloenzymes mechanism through investigations of the geometric and electronic structure of the resting, enzyme-substrate intermediates and product complexes. This volume, Part II of a two-volume set demonstrates the application of high resolution EPR spectroscopy in determining the geometric and electronic structure of active site metal ion centers in iron sulfur cluster containing metalloproteins, mononuclear molybdenum metalloenzymes, manganese-containing enzymes and novel metalloproteins.

Book Fourier Transform Microwave Spectroscopy of Metal Containing Transient Molecules

Download or read book Fourier Transform Microwave Spectroscopy of Metal Containing Transient Molecules written by Ming Sun and published by . This book was released on 2010 with total page 626 pages. Available in PDF, EPUB and Kindle. Book excerpt: Simple organometallic molecules, especially those with a single ligand, are the desired model systems to investigate the metal-ligand interactions. For such a molecule, a quantitative relationship between the geometry and the electronic configuration would be instructive to test the existing theories and to access more complicated systems as well. As a matter of fact, microwave spectroscopy could be the best approach to address this issue by measuring the pure rotational spectrum of a metal-containing molecule. By doing so, microwave spectroscopy can provide the most reliable bond lengths and bond angles for the molecule based on the rotational constants of a set of isotopologues. On the other hand, from the fine-structure and hyperfine-structure of the spectrum, microwave spectroscopy can also describe the electronic manifold, charge distribution and bonding nature of the molecule in a quantitative way. Fourier transform microwave spectrometers have been the most popular equipment to measure the pure rotational spectrum for three decades owing to the high resolution and super sensitivity. With the advances in digital electronics and the molecular production techniques, hyperfine structures of metal-containing molecules can be easily resolved even for the rare isotopologues in their nature abundance by this type of spectrometers. In this dissertation, molecules bearing metals in a wide range covering both the main group and transition metals were studied. By taking advantage of both the traditional and newly developed molecular production techniques in the gas phase (for example, metal pin-electrodes and discharged assisted laser ablation spectroscopy), we obtained spectra of molecules containing magnesium, aluminum, arsenic, copper and zinc. Our subjects include metal acetylides (MgCCH, AlCCH and CuCCH), metal dicarbides (CCAs), metal cyanides (CuCN, ZnCN) as well as other metal mono-ligand molecules. For the zinc metal, complexes with two simple ligands were also investigated, such as HZnCl and HZnCN. We strongly believe that researchers in different disciplines would benefit from our laboratory studies: theoretical chemists can use our experimental results for calibration; astrophysicists would interpret their telescope observations by matching our precisely measured frequencies; material scientists could find new functional materials by linking the bulky properties of certain materials with our spectroscopic results of the monomers.

Book Low Temperature Molecular Spectroscopy

Download or read book Low Temperature Molecular Spectroscopy written by Rui Fausto and published by Springer Science & Business Media. This book was released on 2013-11-11 with total page 622 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular spectroscopy has achieved rapid and significant progress in recent years, the low temperature techniques in particular having proved very useful for the study of reactive species, phase transitions, molecular clusters and crystals, superconductors and semiconductors, biochemical systems, astrophysical problems, etc. The widening range of applications has been accompanied by significant improvements in experimental methods, and low temperature molecular spectroscopy has been revealed as the best technique, in many cases, to establish the connection between experiment and theoretical calculations. This, in turn, has led to a rapidly increasing ability to predict molecular spectroscopic properties. The combination of an advanced tutorial standpoint with an emphasis on recent advances and new perspectives in both experimental and theoretical molecular spectroscopy contained in this book offers the reader insight into a wide range of techniques, particular emphasis being given to supersonic jet and matrix isolation techniques, spectroscopy in cryogenic solutions (including liquid noble gases), and in both crystalline and amorphous states. Suitable quantum chemical methods are also considered, as are empirically based force field methods for calculating spectra of large molecular systems. The wide range of topics covered includes: molecular dynamics and reactivity, time-resolved and high-resolution spectroscopy, conformational analysis, hydrogen bonding and solvent effects, structure and dynamics of weakly bound complexes, transition metal and organic photochemistry, spectroscopy of excited states, ab initio prediction of molecular spectra, and biochemical and astrophysical applications.