Browse Abstracts & Presentations - 2019 International Symposium on Molecular Spectroscopy by Issue Date

• (International Symposium on Molecular Spectroscopy, 2019-06-17)
While scalar-relativistic core-valence separated equation-of-motion coupled-cluster [1] methods can provide quantitative description of core ionization energies [2,3], the necessity of including higher excitations (full ...

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• (International Symposium on Molecular Spectroscopy, 2019-06-17)
An algebraic approach based on the unitary $U(4)$ algebra is proposed to describe 3D systems for effective potentials. Our approach is based on the 3D vibron model where the addition of a scalar boson is introduced ...

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• (International Symposium on Molecular Spectroscopy, 2019-06-17)
Many molecular symmetry (MS) groups for molecules with periodic large-amplitude motions are semidirect products $H \land F$ where the invariant subgroup $H$ is a pure permutation group and $F$ is a point group.\footnote{C.M. ...

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Microsoft PowerPoint 2007 (983kB)
• (International Symposium on Molecular Spectroscopy, 2019-06-17)
Franck Condon factors (FCFs) among low-lying electronic states of a molecule are of paramount importance in the study of laser cooling based on optical cycles. The accurate calculation of potential energy surfaces for these ...

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Microsoft PowerPoint 2007 (405kB)
• (International Symposium on Molecular Spectroscopy, 2019-06-17)
The infrared Fourier transform spectrum of the lower vibrational modes of CD$_{3}$SH has been recorded in the 400-1200 cm$^{-1}$ region using synchrotron radiation at the FIR beamline of the Canadian Light Source in ...

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Microsoft PowerPoint 2007 (2MB)
• (International Symposium on Molecular Spectroscopy, 2019-06-17)
We present\footnote{This work was done under support of the Volkswagen foundation. The assistance of Science and Technology Center in Ukraine is acknowledged (STCU partner project P686). The work in K{\"o}ln was supported ...

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Microsoft PowerPoint 2007 (2MB)
• (International Symposium on Molecular Spectroscopy, 2019-06-17)
We present an accurate simulation of the Raman spectrum of the carbon dioxide molecule in the 1150--1500~cm$^{-1}$ spectral range, comparing the results obtained using different polyad schemes. We first determine an optimal ...

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• (International Symposium on Molecular Spectroscopy, 2019-06-17)
The conformers of $\alpha$-proline were studied by matrix-isolation IR spectroscopy. In order to group the vibrational bands to different conformers, conformational changes were induced by NIR laser irradiations, by exciting ...

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Microsoft PowerPoint 2007 (7MB)
• (International Symposium on Molecular Spectroscopy, 2019-06-17)
1,2-Ethanediol has been shown by FTIR and Raman spectroscopy in supersonic jets to dimerize preferentially in an $S_4$-symmetric structure with a cyclic pattern of four strained hydrogen bonds\footnote{F. Kollipost, K. E. ...

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PDF (15MB)
• (International Symposium on Molecular Spectroscopy, 2019-06-17)
Strong-field coherence breaking (SFCB)\footnote{A.O Hernandez-Castillo, Chamara Abeysekera, Brian M. Hays, Timothy S. Zwier, “Broadband Multi-Resonant Strong Field Coherence Breaking as a Tool for Single Isomer Microwave ...

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Microsoft PowerPoint 2007 (17MB)
• (International Symposium on Molecular Spectroscopy, 2019-06-17)
Methyl anthranilate (MA) is the methyl ester of anthranilic acid. We present the jet-cooled Laser Induced Fluorescence (LIF) UV excitation spectrum, ground (S$_{0}$) and excited state (S$_{1}$) Fluorescence Dip Infrared ...

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• (International Symposium on Molecular Spectroscopy, 2019-06-17)
Recent observations indicate that the cosmic rate ionization rate in the Galactic center is higher than elsewhere in the Galaxy by one to two orders of magnitudes. These measurements are based on infrared H3+ molecular ...

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PDF (24MB)
• (International Symposium on Molecular Spectroscopy, 2019-06-17)
The vibrational specificity and isotopic dependence of hindered proton-transfer dynamics have been explored in the lowest-lying singlet excited state, \textit{\~{A}}$^{1}$B$_{2}$ ($\pi$$^{*}$$\pi$), of 6-hydroxy-2-formylfulvene ...

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Microsoft PowerPoint 2007 (42MB)
• (International Symposium on Molecular Spectroscopy, 2019-06-17)
We present\footnote{This talk is dedicated to the memory of Dr. Jon T. Hougen (who recently passed away) in recognition of his essential contribution to this project.} the results of achieved progress in our analysis of ...

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Microsoft PowerPoint 2007 (2MB)
• (International Symposium on Molecular Spectroscopy, 2019-06-17)
Cavity ring-down spectroscopy (CRDS) is a widely used tool for trace gas sensing and molecular lineshape studies which involves the use of high-finesse optical cavities to provide long effective pathlengths and high spectral ...

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Microsoft PowerPoint 2007 (8MB)
• (International Symposium on Molecular Spectroscopy, 2019-06-17)
We observed the rotationally resolved fluorescence excitation spectrum of the S$_1$ $\leftarrow$ S$_0$ transition of jet-cooled 9-methylanthracene. The potential energy curve for CH$_3$ internal rotation is six-fold ...

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Microsoft PowerPoint 2007 (3MB)
• (International Symposium on Molecular Spectroscopy, 2019-06-17)
Ethanol dehydrogenation dimerization to form ethyl acetate (EA) and hydrogen is, in principle, the best atomically economic reaction and is also considered to be an environmentallly friendly process in EA synthesis. Even ...

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Microsoft PowerPoint 2007 (5MB)
• (International Symposium on Molecular Spectroscopy, 2019-06-17)
Jahn Teller active molecules are a convenient tool for understanding various nonadiabatic effects due to a conical intersection in the potential energy surface (PES), whether its position is determined by symmetry or ...

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Microsoft PowerPoint 2007 (12MB)
• (International Symposium on Molecular Spectroscopy, 2019-06-17)
Characterization of protein structures at interfaces in situ and in real time is important to solve fundamental and engineering problems. Nonetheless, such characterization remains challenging because it requires methods ...

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PDF (25MB)
• (International Symposium on Molecular Spectroscopy, 2019-06-17)
\begin{wrapfigure}{l}{0pt} \includegraphics[scale=0.3]{fig1.eps} \end{wrapfigure} At the last two ISMS meetings we have reported on our IR studies of various D and $^{13}$C substituted isotopologues of propane conducted ...

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Microsoft PowerPoint 2007 (20MB)