# Browse Abstracts & Presentations - 2014 International Symposium on Molecular Spectroscopy by Subject "Mini-symposium: Beyond the Mass-to-Charge Ratio: Spectroscopic Probes of the Structures of Ions"

• (International Symposium on Molecular Spectroscopy, 2014-06-17)
Low kinetic energy (KE) electrons can induce various chemical events when allowed to interact with molecules of different sizes and complexities. We would report in this talk the fragmentation behavior of two isomeric ...

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Microsoft PowerPoint 2007 (1MB)
• (International Symposium on Molecular Spectroscopy, 2014-06-17)
Activation of small hydrocarbons by transition metal centers has gained much attention because of its applications in chemical catalysis. A series of La(\chem{C_nH_m}) complexes (n= 2, 4, 5 or 6 and m= 0, 2, 6, 5 or 8) ...

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Microsoft PowerPoint 2007 (11MB)
• (International Symposium on Molecular Spectroscopy, 2014-06-18)
Molecular ions are involved in the chemistry of many interesting systems, such as the atmosphere, combustion reactions, and the interstellar medium. Challenging aspects of studying molecular ions spectroscopically include ...

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Microsoft PowerPoint 2007 (11MB)
• (International Symposium on Molecular Spectroscopy, 2014-06-17)
Bands corresponding to structural isomers of matrix-isolated O$_{4}$$^{+} are observed upon deposition of ions into argon matrices doped with moderate (0.1-1\%) concentrations of O_{2}. These bands have been assigned ... application/vnd.openxmlformats-officedocument.presentationml.presentation Microsoft PowerPoint 2007 (6MB) • (International Symposium on Molecular Spectroscopy, 2014-06-19) Recent experimental observations of (H_2O)_3^+, (H_2O)_3^+Ar, H^+(H_2O)_3, and H^+(H_2O)_3Ar clusters in the region 1400-3800 \wn show that the OH stretching vibration has distinct characteristics.\fo ... application/vnd.openxmlformats-officedocument.presentationml.presentation Microsoft PowerPoint 2007 (4MB) • (International Symposium on Molecular Spectroscopy, 2014-06-17) \chem{La(C_4H_6)} was observed from the reactions of laser-vaporized La atom with propene (\chem{CH_2CHCH_3}),isobutene [\chem{CH_2C(CH_3)2}],1-butyne (\chem{CHCC_2H_5}), and 2-butyne (\chem{CH_3CCCH_3}) in a metal cluster ... application/vnd.openxmlformats-officedocument.presentationml.presentation Microsoft PowerPoint 2007 (17MB) • (International Symposium on Molecular Spectroscopy, 2014-06-19) \noindent It has been a long-sought goal in cluster science to discover stable atomic clusters as building blocks for cluster-assembled nanomaterials, as exemplified by the fullerenes and their subsequent bulk syntheses.^{[1,2]} ... application/vnd.openxmlformats-officedocument.presentationml.presentation Microsoft PowerPoint 2007 (7MB) • (International Symposium on Molecular Spectroscopy, 2014-06-18) The in-house fourth-age quantum chemical code GENIUSH is used for the variational determination of rotational-vibrational energy levels corresponding to reduced- and full-dimensional models of H_5^+, a molecular ion ... application/vnd.openxmlformats-officedocument.presentationml.presentation Microsoft PowerPoint 2007 (6MB) • (International Symposium on Molecular Spectroscopy, 2014-06-17) Transition metal (M) carbides, nitrides, and oxides (MX, X = C, N, and O) are important molecules in astrophysics, catalysis, and organometallic chemistry. The measurements of the ionization energies (IEs), bond energies, ... application/pdf PDF (9MB) • (International Symposium on Molecular Spectroscopy, 2014-06-18) Matrix isolation spectroscopy was first developed in Pimentel's group during the 1950’s to facilitate spectroscopic studies of transient species.\footnote{Whittle et al., J. Chem. Phys. 22, p.1943 (1954); Becker et al., ... application/vnd.openxmlformats-officedocument.presentationml.presentation Microsoft PowerPoint 2007 (2MB) • (International Symposium on Molecular Spectroscopy, 2014-06-17) Recent advances in high-resolution photoionization, photoelectron, and photodissociation studies based on single-photon vacuum ultraviolet (VUV) and two-color infrared (IR)-VUV, visible (VIS)-ultraviolet (UV), and VUV-VUV ... application/vnd.openxmlformats-officedocument.presentationml.presentation Microsoft PowerPoint 2007 (8MB) • (International Symposium on Molecular Spectroscopy, 2014-06-17) \begin{wrapfigure}{l}{0pt} \includegraphics[scale=0.3]{TOC_Graphic.eps} \end{wrapfigure} The non-classical structure of the 2-norborny cation (\chem{C_7H_{11}}^{+}) which was at the center of "the most ... application/vnd.openxmlformats-officedocument.presentationml.presentation Microsoft PowerPoint 2007 (4MB) • (International Symposium on Molecular Spectroscopy, 2014-06-18) Polycyclic aromatic hydrocarbon (PAH) clusters have been proposed as candidates for evaporating very small grains that are revealed by their mid-IR emission at the surface of UV-irradiated clouds in interstellar ... application/vnd.openxmlformats-officedocument.presentationml.presentation Microsoft PowerPoint 2007 (6MB) • (International Symposium on Molecular Spectroscopy, 2014-06-19) Alkali metal cations play vital roles in chemical and biochemical systems. Lithium is widely used in psychiatric treatment of manic states and bipolar disorder; Sodium and potassium are essential elements, having major ... application/vnd.openxmlformats-officedocument.presentationml.presentation Microsoft PowerPoint 2007 (3MB) • (International Symposium on Molecular Spectroscopy, 2014-06-19) Anion photoelectron spectroscopy has been a major tool in understanding the vibronic structure of metal oxide clusters, due to its universality and sensitivity. However, high ion temperatures and modest photoelectron ... application/pdf PDF (5MB) • (International Symposium on Molecular Spectroscopy, 2014-06-18) Using extended coupled cluster methods well beyond fc-CCSD(T), spectroscopic properties of several molecular anions of astrochemical interest have been calculated. Excellent agreement with MW data is observed for ... application/pdf PDF (497kB) • (International Symposium on Molecular Spectroscopy, 2014-06-19) Based on similairity between vibrational spectra of H^+(H_2O)_n and (H_2O)_n$$^+$, it has been suggestted that the structure of (H$_2$O)$_n$$^+$can be understood as H$^+$(H$_2$O)$_{n-1}$OH.\footnote{K. Mizuse, ...

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Microsoft PowerPoint 2007 (4MB)
• (International Symposium on Molecular Spectroscopy, 2014-06-18)
\begin{wrapfigure}{r}{0pt} \includegraphics[scale=0.3]{isms69absfig.eps} \end{wrapfigure} Azabenzenes are derivatives of benzene containing between one and six nitrogen atoms. Protonated azabenzenes are the fundamental ...

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Microsoft PowerPoint 2007 (17MB)
• (International Symposium on Molecular Spectroscopy, 2014-06-19)
The importance of hydrogen bonding in imidazolium-based ionic liquids (IL) has become a topic of vigorous debate. Red shifted features in the ring CH stretching region observed in bulk FTIR of several IL have been identified ...

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Microsoft PowerPoint 2007 (5MB)
• (International Symposium on Molecular Spectroscopy, 2014-06-17)
Lignin is a heteroaromatic biopolymer that is an essential component in the cell wall of plants. The structural and chemical properties of lignin provide plants with macroscopic structural rigidity, and protection against ...

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Microsoft PowerPoint 2007 (2MB)