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

• (International Symposium on Molecular Spectroscopy, 2014-06-16)
In this work we present a quantum-chemical calculation of the electronic spin-orbit splittings for the spatially degenerate low-lying E$^\prime$ and E$^{\prime\prime}$ states of the nitrate radical (NO$_3$). The calculation ...

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Microsoft PowerPoint 2007 (764kB)
• (International Symposium on Molecular Spectroscopy, 2014-06-16)
Bands of the C$_3$Ar complex can be observed near almost all the bands of the \~{A}$^1\Pi_u$ - \~{X}$^1\Sigma^+_g$ transition of C$_3$. The strongest bands of C$_3$Ar form close-lying pairs. Rotational analyses have ...

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Microsoft PowerPoint 2007 (3MB)
• (International Symposium on Molecular Spectroscopy, 2014-06-16)
The $\tilde{A} ^2{B}_{1}(\Pi_{u})-\tilde{X} ^2{A}_{1}$ linear-bent electronic transition of the BH$_2$ free radical from 11700 - 14600 cm$^{-1}$ was previously studied by Herzberg and Johns in 1967.\footnote{G.~Herzberg~ ...

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Microsoft PowerPoint 2007 (8MB)
• (International Symposium on Molecular Spectroscopy, 2014-06-16)
The $\tilde{B}$ $^2E'$ -- $\tilde{X}$ $^2A_2'$ electronic transition of NO$_3$ generated in a supersonic free jet expansion was investigated by four wave mixing (~4WM~) spectroscopy. The degenerated 4WM and laser ...

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• (International Symposium on Molecular Spectroscopy, 2014-06-16)
The $D_0 \leftarrow D_1$ transitions of many aromatic resonance stabilised radicals (RSRs) have been observed in the gas-phase in recent years. This work has been primarily motivated by the suggestion that such molecules ...

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Microsoft PowerPoint 2007 (5MB)
• (International Symposium on Molecular Spectroscopy, 2014-06-16)
Infrared spectra in the C-H stretch region are reported for the allyl (CH$_{2}$CHCH$_{2}$) and allyl peroxy (CH$_{2}$=CH-CH$_{2}$OO) radicals solvated in superfluid helium nanodroplets. Nine bands in the spectrum of the ...

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Microsoft PowerPoint 2007 (5MB)
• (International Symposium on Molecular Spectroscopy, 2014-06-16)
The quasidiabatic model of K{\"o}ppel, Domcke and Cederabaum has proven to be a powerful tool for computing intensities and level positions in electronic spectra involving strong vibronic coupling effects. The model has ...

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• (International Symposium on Molecular Spectroscopy, 2014-06-16)
Pure rotational spectra of SiCCN ( \textit{\~{X}} $^{2}$$\Pi$$_{3/2}$) have been observed using Fourier-transform microwave (FTMW) spectroscopy in the frequency region 13 to 35 GHz. The SiCCN radical was produced in a ...

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Microsoft PowerPoint 2007 (1MB)
• (International Symposium on Molecular Spectroscopy, 2014-06-16)
The potential of four-wave mixing spectroscopy for deperturbation studies has been demonstrated by an analysis of the spin-orbit and $L$-uncoupling interaction between the $d\,^3\Pi_g,v=4$ and the $b\,^3\Sigma_g^-, v=16$ ...

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• (International Symposium on Molecular Spectroscopy, 2014-06-16)
Rotationally-resolved high-resolution fluorescence excitation spectra and the Zeeman effects of the 662 nm band, which is called as the 0-0 band of the $B~^{2}E' \leftarrow X~^{2}A_{2}'$ electronic transition, of ...

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Microsoft PowerPoint 2007 (2MB)
• (International Symposium on Molecular Spectroscopy, 2014-06-16)
Nitrate radical (NO$_{3}$) has two electronic excited states: $A~^{2}E"$ and $B~^{2}E'$ near the electronic ground state: $X~^{2}A_{2}'$. These three electronic states can vibronically interact each other. Therefore, ...

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Microsoft PowerPoint 2007 (4MB)
• (International Symposium on Molecular Spectroscopy, 2014-06-16)
The vibronic structure of the NO$_3$ radical has been the subject of much recent research in our group.\footnote{Codd, T. et al. 68$^{th}$ Int. Symp. Molec. Spec. (2012)} We have also collected several high resolution ...

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Microsoft PowerPoint 2007 (5MB)
• (International Symposium on Molecular Spectroscopy, 2014-06-16)
The Criegee intermediates are carbonyl oxides that play key roles in ozonolysis of unsaturated organic compounds. This mechanism was first proposed by Criegee in 1949, but the first direct observation of the simplest Criegee ...

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Microsoft PowerPoint 2007 (6MB)
• (International Symposium on Molecular Spectroscopy, 2014-06-16)
A moderate resolution spectrum of the $\widetilde{A}^2 E^{\prime\prime}$ state of the NO$_3$ radical has been obtained using jet-cooled cavity ringdown spectroscopy. The analysis of the vibronic structure of this spectrum ...

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Microsoft PowerPoint 2007 (1MB)
• (International Symposium on Molecular Spectroscopy, 2014-06-16)
Benzyl radical is a prototypical aromatic free radical and has been the subject of numerous spectroscopic studies. On the other hand, ring-substituted benzyl radicals, benzyl-type radicals, have received less attention due ...

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Microsoft PowerPoint 2007 (2MB)
• (International Symposium on Molecular Spectroscopy, 2014-06-16)
The strongest IR band of \chem{NO_3} appears at 1492 \wn and has been assigned traditionally to the N-O degenerate stretching \nub{3} mode. In 2007 Stanton proposed the \nub{3} to be about 500 \wn lower, i.e. it is located ...

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• (International Symposium on Molecular Spectroscopy, 2014-06-16)
The electronic spectra of the X$_{2}$BO and X$_{2}$BS free radicals have been studied by a combination of experimental and theoretical techniques. Experimentally, we have succeeded in preparing some of these species in a ...

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Microsoft PowerPoint 2007 (4MB)