# Browse Abstracts & Presentations - 2014 International Symposium on Molecular Spectroscopy by Subject "Structure determination"

• (International Symposium on Molecular Spectroscopy, 2014-06-18)
For use in determining the semiexperimental structure of {\em trans}-hexatriene, its 3-{\em d}$_1$ isotopologue has been synthesized and the high-resolution (0.0015 cm$^{-1}$) IR spectrum has been recorded. The rotational ...

application/vnd.openxmlformats-officedocument.presentationml.presentation

Microsoft PowerPoint 2007 (14MB)
• (International Symposium on Molecular Spectroscopy, 2014-06-18)
There are several practical algorithms for building molecular geometries based on bond lengths, bond angles, and torsional angles. There seem to be few discussions of the effect changing one angle has on the remaining ...

application/vnd.openxmlformats-officedocument.presentationml.presentation

Microsoft PowerPoint 2007 (813kB)
• (International Symposium on Molecular Spectroscopy, 2014-06-17)
\begin{wrapfigure}{r}{0pt} \includegraphics[scale=0.6]{bromopentafluoropropane.eps} \end{wrapfigure} The microwave spectrum of the molecule 3-bromo-1,1,1,2,2-pentafluoropropane has been measured on a newly ...

application/vnd.openxmlformats-officedocument.presentationml.presentation

Microsoft PowerPoint 2007 (6MB)
• (International Symposium on Molecular Spectroscopy, 2014-06-18)
\begin{wrapfigure}{r}{0pt} \includegraphics[scale=0.6]{bromoperfluoroacetonecalc.eps} \end{wrapfigure} The microwave spectrum of the molecule bromoperfluoroacetone has been measured on a newly constructed ...

application/vnd.openxmlformats-officedocument.presentationml.presentation

Microsoft PowerPoint 2007 (6MB)
• (International Symposium on Molecular Spectroscopy, 2014-06-17)
%\begin{wrapfigure}{r}{0pt} %\includegraphics[scale=0.40]{for_columbus_p_69_3.eps} %\end{wrapfigure} The rotational spectra of H$_2$-AgCl and H$_2$-AuCl have been measured using a cavity FTMW spectrometer equipped ...

application/vnd.openxmlformats-officedocument.presentationml.presentation

Microsoft PowerPoint 2007 (6MB)
• (International Symposium on Molecular Spectroscopy, 2014-06-17)
In all previous examples of complexes formed between protic acids and haloethylenes, we have observed similar modes of binding regardless of the specific identity of the acid, HF, HCl, or HCCH. Although details of the ...

application/vnd.openxmlformats-officedocument.presentationml.presentation

Microsoft PowerPoint 2007 (3MB)
• (International Symposium on Molecular Spectroscopy, 2014-06-18)
In order to determine an accurate equilibrium structure for the equatorial form of piperidine, C$_ 5$H$_{11}$N, microwave transitions and ground state rotational constants are reported for the $^{13}$C and $^{15}$N ...

application/vnd.openxmlformats-officedocument.presentationml.presentation

Microsoft PowerPoint 2007 (3MB)
• (International Symposium on Molecular Spectroscopy, 2014-06-17)
Halo-substituted methanes constitute a class of molecules that are important in various fields, from spectroscopy to quantum-chemical calculations. They are also gaining interest due to their potential adverse impact on ...

application/vnd.openxmlformats-officedocument.presentationml.presentation

Microsoft PowerPoint 2007 (1MB)
• (International Symposium on Molecular Spectroscopy, 2014-06-17)
\vspace{0.1in} \begin{wrapfigure}{r}{0pt} \includegraphics[width=5.25cm]{dimer.eps} \end{wrapfigure} We report the rotational and distortion constants of 3 conformers of 2-fluorobenzoic acid, 2 conformers of ...

application/vnd.openxmlformats-officedocument.presentationml.presentation

Microsoft PowerPoint 2007 (3MB)
• (International Symposium on Molecular Spectroscopy, 2014-06-17)
Hydroxymethyl radical (CH$_2$OH) plays an important role in combustion and environmental chemistry as a reactive intermediate. Reisler's group published\footnote{L. Feng, J. Wei and H. Reisler, J. Phys. Chem. A, Vol. 108.} ...

application/vnd.openxmlformats-officedocument.presentationml.presentation

Microsoft PowerPoint 2007 (39MB)
• (International Symposium on Molecular Spectroscopy, 2014-06-17)
Organic rings are common building blocks in biologically active molecules. In contrast to six-membered rings, cycloalkanes with seven or more ring atoms have a less rigid structure which allows for conformational diversity ...

application/vnd.openxmlformats-officedocument.presentationml.presentation

Microsoft PowerPoint 2007 (5MB)
• (International Symposium on Molecular Spectroscopy, 2014-06-18)
The pure rotational spectrum of methylzinc chloride, ClZnCH$_{3}$ (X$^{1}$A$_{1}$), has been recorded in the gas phase using direct absorption spectroscopic techniques. ClZnCH$_{3}$ was synthesized by the reaction of zinc ...

application/vnd.openxmlformats-officedocument.presentationml.presentation

Microsoft PowerPoint 2007 (4MB)
• (International Symposium on Molecular Spectroscopy, 2014-06-18)
The ground state rotational spectra of benzonitrile (BN) and pentafluorobenzonitrile (PFBN) were investigated using Balle-Flygare Fourier transform microwave (FTMW) spectroscopy in the region between 5 and 25 GHz. In ...

application/vnd.openxmlformats-officedocument.presentationml.presentation

Microsoft PowerPoint 2007 (2MB)
• (International Symposium on Molecular Spectroscopy, 2014-06-18)
Several monoterpenes and terpenoids are biogenic volatile organic compounds which are emitted in the atmosphere, and react with \chem{OH}, \chem{O_3}, \chem{NO_x}, etc. to give rise to several oxydation and degradation ...

application/vnd.openxmlformats-officedocument.presentationml.presentation

Microsoft PowerPoint 2007 (23MB)
• (International Symposium on Molecular Spectroscopy, 2014-06-17)
Previous studies of argon complexes with fluoroethylenes have revealed a preference for a geometry that maximizes the contact of the argon atom with heavy atoms on the fluoroethylene.\footnote{Z.~Kisiel, P.W.~Fowler, and ...

application/vnd.openxmlformats-officedocument.presentationml.presentation

Microsoft PowerPoint 2007 (9MB)
• (International Symposium on Molecular Spectroscopy, 2014-06-17)
The interconversion between two equivalent configurations of a system via exchange of protons is an important process with implications in areas ranging from chemical dynamics to molecular biology. In this work, we present ...

application/vnd.openxmlformats-officedocument.presentationml.presentation

Microsoft PowerPoint 2007 (3MB)
• (International Symposium on Molecular Spectroscopy, 2014-06-18)
HO$_3$ is a radical species of atmospheric and astrophysical chemical importance. While the microwave spectrum of this radical is known, its rotational spectrum has not been measured at higher frequencies. Studies of ...

application/pdf

PDF (26MB)
• (International Symposium on Molecular Spectroscopy, 2014-06-18)
The rotational spectra for hydrazoic acid (HN$_{3}$), its isotopologues, and its vibrational satellites have been reexamined using millimeter-wave rotational spectroscopy in the range of 240-360 GHz. Treating sodium azide ...

application/vnd.openxmlformats-officedocument.presentationml.presentation

Microsoft PowerPoint 2007 (1MB)
• (International Symposium on Molecular Spectroscopy, 2014-06-18)
The laboratory detection of gas-phase IZnCH$_{3}$ (X$^{1}$A$_{1}$), using millimeter-wave direct absorption methods, was reported previously. This work has been extended by the measurement of the pure rotational spectrum ...

application/vnd.openxmlformats-officedocument.presentationml.presentation

Microsoft PowerPoint 2007 (4MB)
• (International Symposium on Molecular Spectroscopy, 2014-06-17)
I have demonstrated that triple resonance performed on a three-rotational-level system of a chiral molecule of C$_{1}$ symmetry exhibits signals opposite in phase for different enantiomers, thereby making enantiomer ...

application/pdf

PDF (259kB)