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Author : Khadjch Rajabi
Publisher :
ISBN 13 :
Total Pages : 0 pages
Book Rating : 4.:/5 (661 download)
Download or read book Structures of Gaseous Ions by Infrared Multiple Photon Dissociation (IRMPD) Spectroscopy written by Khadjch Rajabi and published by . This book was released on 2010 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Khadjch Rajabi
Publisher :
ISBN 13 :
Total Pages : 560 pages
Book Rating : 4.:/5 (661 download)
Download or read book Structures of Gaseous Ions by Infrared Multiple Photon Dissociation (IRMPD) Spectroscopy written by Khadjch Rajabi and published by . This book was released on 2010 with total page 560 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Richard Alexander Marta
Publisher :
ISBN 13 :
Total Pages : 290 pages
Book Rating : 4.:/5 (613 download)
Download or read book Mass-selected Infrared Multiple-photon Dissociation as a Structural Probe of Gaseous Ion-molecule Complexes written by Richard Alexander Marta and published by . This book was released on 2009 with total page 290 pages. Available in PDF, EPUB and Kindle. Book excerpt: Mass-selected infrared multiple photon spectroscopy (IRMPD), Fourier transform ion cyclotron resonance (FT-ICR) kinetic experiments, RRKM and electronic structure calculations have been performed in order to propose a complex mechanism involving the formation of the proton-bound dimer of water (H5O2) from 1,1,3,3-tetrafluorodimethyl ether. It has been found that the reaction is facilitated by a series of sequential exothermic bimolecular ion-molecule reactions. Evidence for the dominant mechanistic pathway involving the reaction of CF2H-O=CHF2, an ion of m/z 99, with water is presented. The primary channel occurs via nucleophilic attack of water on the ion of m/z 99 (CF2H-O=CHF), to lose formyl fluoride and yield protonated difluoromethanol (m/z 69). Association of a second water molecule with protonated difluoromethanol generates a reactive intermediate which decomposes via a 1,4-elimination to release hydrogen fluoride and yield the proton-bound dimer of water and formyl fluoride (m/z 67). The 1,4-elimination of hydrogen fluoride is found to be strongly supported by the results of both RRKM theory and electronic structure calculations. Lastly, the elimination of formyl fluoride occurs by the association of a third water molecule to produce H5O2 (m/z 37). The most probable isomeric forms of the ions with m/z 99 and 69 were found using IRMPD spectroscopy and electronic structure theory calculations. Thermochemical information for reactant, transition and product species was obtained using MP2/aug-cc-pVQZ//MP2(full)/6-31G(d) level of theory.
Author : Dilrukshi Manjalika Patuwathavithana Peiris
Publisher :
ISBN 13 :
Total Pages : 316 pages
Book Rating : 4.:/5 (333 download)
Download or read book Infrared Multiple Photon Dissociation Spectra of Gaseous Ions written by Dilrukshi Manjalika Patuwathavithana Peiris and published by . This book was released on 1994 with total page 316 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Clifford H. Watson
Publisher :
ISBN 13 :
Total Pages : 27 pages
Book Rating : 4.:/5 (227 download)
Download or read book Resonance Enhanced Two-Laser Infrared Multiple Photon Dissociation of Gaseous Ions written by Clifford H. Watson and published by . This book was released on 1990 with total page 27 pages. Available in PDF, EPUB and Kindle. Book excerpt: Ions trapped in a Fourier Transform Ion Cyclotron Resonance (FTICR) mass spectrometer exhibited enhanced Infrared Multiple Photon Dissociation (IRMPD) when irradiated sequentially by two carbon dioxide lasers using a novel IRMPD probe/pump photodissociation scheme. A low power pulsed (probe) laser tuned to a resonant infrared absorption band promoted trapped ions to vibrationally excited states, but had insufficient energy to cause photodissociation. Subsequent irradiation of the excited ions with a fixed-frequency, nonresonant, continuous wave (pump) laser induced photofragmentation. Photodissociation spectra were obtained by varying the wavelength of the probe laser. A novel White-type cell which dramatically enhances the effect of the probe laser has been designed and constructed for use with these experiments. Infrared multiple photo dissociation, Infrared spectra of ions, Fourier transform ion cyclotron resonance mass spectrometry, Lasers, Ions, Kinetics, Gas analysis, Collisions, Molecular structure, Energy levels, Probes. (jg).
Author : Jonathan K. Martens
Publisher :
ISBN 13 :
Total Pages : 277 pages
Book Rating : 4.:/5 (835 download)
Download or read book Infrared Spectroscopic and Theoretical Characterization of a Selection of Biologically Relevant Gaseous Ionic Complexes written by Jonathan K. Martens and published by . This book was released on 2012 with total page 277 pages. Available in PDF, EPUB and Kindle. Book excerpt: The structures of gaseous sodiated poly(alanines), Ala8-12 Na+, were studied using infrared multiple photon dissociation (IRMPD) spectroscopy complimentarily to molecular dynamics and quantum chemical methods.
Author : Ryan Patrick Dain
Publisher :
ISBN 13 :
Total Pages : 76 pages
Book Rating : 4.:/5 (697 download)
Download or read book Investigation of Gas-phase Metal Ion Complexes Using Infrared Multiple Photon Dissociation Spectroscopy and Density Functional Theory Calculations written by Ryan Patrick Dain and published by . This book was released on 2010 with total page 76 pages. Available in PDF, EPUB and Kindle. Book excerpt: A combination of theoretical chemistry and "action" spectroscopy has become the most used tool for the exploration of gas-phase molecular ions. In this study, density functional theory (DFT) calculations were used to test the validity of conclusions drawn from the results of a matrix-isolation infrared (MI-IR) experiment and develop a modeling method that could be used for metal-coordinating chlorate ion pairs. That modeling method was then used in comparison with experimental infrared multiple photon dissociation (IRMPD) spectroscopy to determine the structures of metal-chlorate anions. In addition to structural information, the effect of the modeling method on spectral correlation was also investigated.
Author : Anouk M. Rijs
Publisher : Springer
ISBN 13 : 3319192043
Total Pages : 409 pages
Book Rating : 4.3/5 (191 download)
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.
Author : Kenneth W. Busch
Publisher : Elsevier
ISBN 13 : 0080469280
Total Pages : 721 pages
Book Rating : 4.0/5 (84 download)
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
Author : Sabrina M. Martens
Publisher :
ISBN 13 :
Total Pages : 109 pages
Book Rating : 4.:/5 (827 download)
Download or read book Characterization of Several Small Biologically Relevant Molecules by Infrared Multiple Photon Dissociation Spectroscopy and Electronic Structure Calculations written by Sabrina M. Martens and published by . This book was released on 2011 with total page 109 pages. Available in PDF, EPUB and Kindle. Book excerpt: Infrared multiple photon dissociation (IRMPD) spectroscopy has been coupled with electronic structure calculations in order to elucidate the structures of several small biological molecules including: uracil, 5-fluorouracil, 5-fluorocytosine, ferulic acid, and a number of their related analogs. IRMPD is a powerful technique, that when combined with electronic structure calculations can provide convincing evidence for the structural characterization of ions in the gas phase. Isomers of uracil and 5-fluorouracil (5-FU) have been characterized by calculations performed at the MP2(full)/aug-cc-pVTZ level of theory; however, infrared multiple photon dissociation spectroscopy experiments proved to be unsuccessful for these species. Geometry optimization and frequency calculations have isolated the dominant isomer(s) for neutral and deprotonated uracil and 5-fluorouracil, along with several cluster interactions involving water, methanol, ammonia, and methylamine. For both uracil and 5-FU, a single relevant neutral isomer was determined, with each isomer existing in the diketo, as opposed to the enol form. Following the deprotonation of this neutral isomer, both uracil and 5-FU were permitted to form anionic cluster ions with water, methanol, ammonia, or methylamine, and based on the relative Gibbs free energies (298 K) of the calculated isomers, relevant cluster interactions were determined. For each cluster, several sites of intramolecular interaction were found to exist; however, interaction at the site of deprotonation was the most favourable in every instance. Ionic hydrogen bond interactions have been found in several clusters formed by 5-fluorocytosine (5-FC).
Author : Widana Kankanamge Dayangani Nirosha Kaushalya
Publisher :
ISBN 13 :
Total Pages : 86 pages
Book Rating : 4.:/5 (122 download)
Download or read book Computational Chemistry Investigation of Gas-phase Structures, Infrared Spectroscopy, and Dissociation Pathways of Isomeric Molecules written by Widana Kankanamge Dayangani Nirosha Kaushalya and published by . This book was released on 2020 with total page 86 pages. Available in PDF, EPUB and Kindle. Book excerpt: While chemical isomers typically have distinct properties, differentiating between them is often an analytical challenge, especially for mass spectrometric methods. Infrared multiple photon dissociation (IRMPD) spectroscopy and ion mobility spectrometry (IMS) can be useful in analysis of such isomeric compounds; however, experimental results alone do not directly provide in-depth structural information. In this thesis, computational chemistry is first used to explain experimental results and understand the conformational preference of the gas phase ions formed from the lithiation of cis-3, cis-4 and trans-4 hydroxyproline isomers and then used in a predictive manner to evaluate IRMPD spectroscopy and IMS as potential paths forward for the characterization of isomeric dye species. Finally, theoretical methods are used to begin to understand the dissociation pathways of lithiated hydroxyproline isomers in the gas phase, which is ongoing.
Author : Chad Garry Atkins
Publisher :
ISBN 13 :
Total Pages : 252 pages
Book Rating : 4.:/5 (632 download)
Download or read book Probing the Structures of Protonated and Metalated Glycine Complexes Using Infrared Multiple Photon Dissociation Spectroscopy written by Chad Garry Atkins and published by . This book was released on 2009 with total page 252 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Frederik Lermyte
Publisher : Royal Society of Chemistry
ISBN 13 : 1839161108
Total Pages : 359 pages
Book Rating : 4.8/5 (391 download)
Download or read book Advanced Fragmentation Methods in Biomolecular Mass Spectrometry written by Frederik Lermyte and published by Royal Society of Chemistry. This book was released on 2020-12-11 with total page 359 pages. Available in PDF, EPUB and Kindle. Book excerpt: Breaking down large biomolecules into fragments in a controlled manner is key to modern biomolecular mass spectrometry. This book is a high-level introduction, as well as a reference work for experienced users, to ECD, ETD, EDD, NETD, UVPD, SID, and other advanced fragmentation methods. It provides a comprehensive overview of their history, mechanisms, instrumentation, and key applications. With contributions from leading experts, this book will act as an authoritative guide to these methods. Aimed at postgraduate and professional researchers, mainly in academia, but also in industry, it can be used as supplementary reading for advanced students on mass spectrometry or analytical (bio)chemistry courses.
Author : Nicolas C. Polfer
Publisher : Springer Science & Business Media
ISBN 13 : 3319012525
Total Pages : 128 pages
Book Rating : 4.3/5 (19 download)
Download or read book Laser Photodissociation and Spectroscopy of Mass-separated Biomolecular Ions written by Nicolas C. Polfer and published by Springer Science & Business Media. This book was released on 2013-09-03 with total page 128 pages. Available in PDF, EPUB and Kindle. Book excerpt: This lecture notes book presents how enhanced structural information of biomolecular ions can be obtained from interaction with photons of specific frequency - laser light. The methods described in the book "Laser photodissociation and spectroscopy of mass-separated biomolecular ions" make use of the fact that the discrete energy and fast time scale of photoexcitation can provide more control in ion activation. This activation is the crucial process producing structure-informative product ions that cannot be generated with more conventional heating methods, such as collisional activation. The book describes how the powerful separation capabilities and sensitivity of mass spectrometry (MS) can be combined with the structural insights from spectroscopy by measuring vibrational and electronic spectra of trapped analytes. The implementation of laser-based photodissociation techniques in MS requires basic knowledge of tunable light sources and ion trapping devices. This book introduces the reader to key concepts and approaches in molecular spectroscopy, and the light sources and ion traps employed in such experiments. The power of the methods is demonstrated by spectroscopic interrogation of a range of important biomolecular systems, including peptides, proteins, and saccharides, with laser light in the ultraviolet-visible, and infrared range. The book "Laser photodissociation and spectroscopy of mass-separated biomolecular ions" is an indispensable resource for students and researchers engaged or interested in this emerging field. It provides the solid background of key concepts and technologies for the measurements, discusses state-of-the-art experiments, and provides an outlook on future developments and applications.
Download or read book Low Pressure Infrared Multiple-photon Dissociation Dynamics of Gaseous Ion-molecule Complexes written by and published by . This book was released on 1998 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book The Use of Infrared Multiple Photon Dissociation and Fourier Transform Ion Cyclotron Resonance Mass Spectrometry to Study the Thermochemical Dynamics of Dephosphorylation and the Spectral and Density Functional Theory Determined Structural Characteristics of Monosaccharide Isomers written by and published by . This book was released on 2009 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Photon (vibrationally resonant) induced dissociation or action spectra, spanning the C-H-and O-H stretch regions, were then acquired for four rubidium cation-bound glycosides. Comparison of the experimental and Density Functional Theory calculated spectra revealed a network of intermolecular hydrogen bonding and rubidium attachments that provided the means to differentiate D-glucoside and D-galactoside anomers in the O-H stretching region of the infrared spectrum. In the second project, two cw-CO2 lasers were also set up for gas-phase experiments. Dephosphorylation rate constants (at varying laser powers) were obtained for both positively and negatively charged phosphopeptide ions at three different wavelengths. In these experiments, the dissociation rate constants favored the negatively charged species at all wavelengths (a result of lower activation energies) as the overall Arrhenius activation energies were independent of vibrational mode intensities.
Author : John L. Holmes
Publisher : CRC Press
ISBN 13 : 0203492471
Total Pages : 468 pages
Book Rating : 4.2/5 (34 download)
Download or read book Assigning Structures to Ions in Mass Spectrometry written by John L. Holmes and published by CRC Press. This book was released on 2006-12-26 with total page 468 pages. Available in PDF, EPUB and Kindle. Book excerpt: Assigning Structures to Ions in Mass Spectrometry describes the tools currently available for determining gas-phase ion structures. It surveys current experimental methods for ion production and separation as well as those designed to reveal qualitative and quantitative aspects of gas-phase ions. It also examines how and when to apply computational chemistry and theoretical calculations. Selected case studies illustrate specific challenges associated with ion structure assignment and thermochemical problems. Bringing together key results collected over the past four decades, the book contains the data for describing or identifying ions containing C alone and C with H, O, N, S, P, halogens, and small organic cations.
