Infrared Spectroscopy of Cluster Ions: High Energy Conformer Trapping and Multiple Photon Absorption PDF Download
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Author: Jordan P. Beck
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Languages : en
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Infrared predissociation (IRPD) spectra of several cluster ions are presented, resulting in the emergence of two major themes. Trapped, high energy conformers are observed in argon tagged clusters. In non-argon tagged hydrated alkali metal ion clusters, multiple photon absorption processes can occur. The cluster ions discussed in this dissertation are generated by impacting neutral clusters with ions. If there is an energetic barrier between the neutral cluster configuration and the global minimum cluster ion configuration that is larger than the binding energy of the most labile ligand, then high energy conformers can be trapped. Thus, the trapped conformers retain some of the bonds of their neutral precursors. For example, neutral methanol dimer contains a hydrogen bond and a trapped, high energy Cl (CH3OH)2Ar conformer was observed which also contains a methanol0́Ø0́Ø0́Ømethanol hydrogen bond. Similar results are reported for M+(C6H6)2-4(H2O)2Ar and M+(benzyl alcohol)1(H2O)1-2Ar where IRPD spectra reveal hydrogen bonds resulting from the configurations of the neutral precursors. For most of the clusters studied, spectral features from high energy conformers and global minimum energy conformers were observed in the same spectra. However, a special case is reported in chapter 5 in which spectral features from high energy conformers and global minimum energy conformers of Li+(C6H6)2-4(H2O)2Ar were observed in different spectra corresponding to the fragmentation channel monitored. This conformer specific fragmentation greatly simplified the interpretation of the spectra and provided useful information on the cluster energetics. Conformer specific fragmentation was also observed for M+(H2O)5-7, but for a different reason. In the hydrogen bonded O-H stretching region, IRPD spectra obtained by monitoring the loss of two waters only contained features from linear hydrogen bonds. This mode dependent fragmentation is believed to be the result of multiple photon absorption. This conclusion is supported by laser-fluence dependence studies and by evaporative ensemble calculations.
Author: Jordan P. Beck
Publisher:
ISBN:
Category :
Languages : en
Pages :
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Book Description
Infrared predissociation (IRPD) spectra of several cluster ions are presented, resulting in the emergence of two major themes. Trapped, high energy conformers are observed in argon tagged clusters. In non-argon tagged hydrated alkali metal ion clusters, multiple photon absorption processes can occur. The cluster ions discussed in this dissertation are generated by impacting neutral clusters with ions. If there is an energetic barrier between the neutral cluster configuration and the global minimum cluster ion configuration that is larger than the binding energy of the most labile ligand, then high energy conformers can be trapped. Thus, the trapped conformers retain some of the bonds of their neutral precursors. For example, neutral methanol dimer contains a hydrogen bond and a trapped, high energy Cl (CH3OH)2Ar conformer was observed which also contains a methanol0́Ø0́Ø0́Ømethanol hydrogen bond. Similar results are reported for M+(C6H6)2-4(H2O)2Ar and M+(benzyl alcohol)1(H2O)1-2Ar where IRPD spectra reveal hydrogen bonds resulting from the configurations of the neutral precursors. For most of the clusters studied, spectral features from high energy conformers and global minimum energy conformers were observed in the same spectra. However, a special case is reported in chapter 5 in which spectral features from high energy conformers and global minimum energy conformers of Li+(C6H6)2-4(H2O)2Ar were observed in different spectra corresponding to the fragmentation channel monitored. This conformer specific fragmentation greatly simplified the interpretation of the spectra and provided useful information on the cluster energetics. Conformer specific fragmentation was also observed for M+(H2O)5-7, but for a different reason. In the hydrogen bonded O-H stretching region, IRPD spectra obtained by monitoring the loss of two waters only contained features from linear hydrogen bonds. This mode dependent fragmentation is believed to be the result of multiple photon absorption. This conclusion is supported by laser-fluence dependence studies and by evaporative ensemble calculations.
Author: Oscar Rodriguez (Jr)
Publisher:
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Category :
Languages : en
Pages :
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Many biological and environmental systems contain ion, water, and hydrophobic components; and it is the balance between these competing interactions which governs their chemistry. This Thesis aims at exploring ion0́Ø0́Ø0́Øhydrocarbon interactions, then ion0́Ø0́Ø0́Øwater0́Ø0́Ø0́Øalkane interactions. To accomplish this, a combination of gas phase infrared predissociation spectroscopy (IRPD) and tandem mass spectrometry is utilized. The solvation of alkali metal ions by methane is discussed first, beginning with the effects of multiple argon atoms on Li+0́Ø0́Ø0́ØCH4 dimer clusters followed by a study of M+(CH4)n clusters where it is revealed that ions have a weak electrostatic effect beyond the first solvent shell. Next, the argon tagging and monitoring unique fragmentation channels are used to selectively probe for high energy Li+(H2O)3-4Ar1 conformers which contain extensive water hydrogen bonding. Finally, ion0́Ø0́Ø0́Øwater0́Ø0́Ø0́Øalkane interactions are probed in Li+(H2O)n clusters containing CH4 or C6H12 molecules. Some spectra contain hydrogen bonded peaks correlating to weak water0́Ø0́Ø0́Øalkane interactions. Furthermore, there is strong evidence that high energy conformers containing water hydrogen bonding are present in the cluster ion beam. This analysis is expanded to anionic Cl-(Water)m(CH4)n clusters to compare with cations. Density functional theory or MP2 level calculations were used to support and help characterize experimental data.
Author: John Michael Price
Publisher:
ISBN:
Category :
Languages : en
Pages : 512
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Author: Mitchio Okumura
Publisher:
ISBN:
Category :
Languages : en
Pages : 382
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Author: Anouk M. Rijs
Publisher: Springer
ISBN: 3319192043
Category : Science
Languages : en
Pages : 409
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Book Description
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: 0080469280
Category : Science
Languages : en
Pages : 721
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Book Description
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: 王亦生
Publisher:
ISBN:
Category :
Languages : en
Pages : 73
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Author: Takayuki Ebata
Publisher: Springer
ISBN: 9811393710
Category : Science
Languages : en
Pages : 395
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Book Description
This book describes advanced research on the structures and photochemical properties of polyatomic molecules and molecular clusters having various functionalities under cold gas-phase conditions. Target molecules are crown ethers, polypeptides, large size protonated clusters, metal clusters, and other complex polyatomic molecules of special interest. A variety of advanced frequency and time-domain laser spectroscopic methods are applied. The book begins with the principle of an experimental setup for cold gas-phase molecules and various laser spectroscopic methods, followed by chapters on investigation of specific molecular systems. Through a molecular-level approach and analysis by quantum chemical calculation, it is possible to learn how atomic and molecular-level interactions (van der Waals, hydrogen-bonding, and others) control the specific properties of molecules and clusters. Those properties include molecular recognition, induced fitting, chirality, proton and hydrogen transfer, isomerization, and catalytic reaction. The information will be applicable to the design of new types of functional molecules and nanoparticles in the broad area that includes applied chemistry, drug delivery systems, and catalysts.
Author: Committee to Assess Health Risks from Exposure to Low Levels of Ionizing Radiation
Publisher: National Academies Press
ISBN: 0309133343
Category : Science
Languages : en
Pages : 422
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Book Description
This book is the seventh in a series of titles from the National Research Council that addresses the effects of exposure to low dose LET (Linear Energy Transfer) ionizing radiation and human health. Updating information previously presented in the 1990 publication, Health Effects of Exposure to Low Levels of Ionizing Radiation: BEIR V, this book draws upon new data in both epidemiologic and experimental research. Ionizing radiation arises from both natural and man-made sources and at very high doses can produce damaging effects in human tissue that can be evident within days after exposure. However, it is the low-dose exposures that are the focus of this book. So-called “late” effects, such as cancer, are produced many years after the initial exposure. This book is among the first of its kind to include detailed risk estimates for cancer incidence in addition to cancer mortality. BEIR VII offers a full review of the available biological, biophysical, and epidemiological literature since the last BEIR report on the subject and develops the most up-to-date and comprehensive risk estimates for cancer and other health effects from exposure to low-level ionizing radiation.
Author: Zhiming M. Wang
Publisher: Springer Science & Business Media
ISBN: 1461494729
Category : Technology & Engineering
Languages : en
Pages : 392
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Book Description
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.
