## Recursos de colección

#### The KnowledgeBank at OSU (75.279 recursos)

Knowledge Bank contains collections of presentations, publications and reports related to Ohio State University.

Abstracts of OSU International Symposium on Molecular Spectroscopy 2000-present

1. #### HIGH RESOLUTION ELECTRONIC SPECTROSCOPY OF THE ARGON VAN DER WAALS COMPLEXES OF 1, 2, 3, 6, 7, 8-HEXAHYDROPYRENE IN THE GAS PHASE.

Morgan, Philip J.; Fleisher, Adam J.; Roscioli, Joseph R.; Pratt, David W.

12. #### HOONO ISOMERIZATION TO HONO$_2$ INVOLVING CONICAL INTERSECTIONS

Kumar, T. J. Dhilip; Stanton, John F.; Barker, John R.
The important atmospheric reactions HO$_2$ + NO and OH + NO$_2$ lead to formation and dissociation of the cis- and trans- isomers of the HOONO complex. In the present work, the global HNO$_3$ potential energy surface (PES) is being studied by using high-level ab initio electronic structure methods. This PES, 3999 (2003).} and others in the same class have been studied previously by others. In the F + NO$_2$ reaction system, UCCSD(T) calculations showed that FONO isomerizes to FNO$_2$ through a tight transition state involving a two-state avoided curve crossing, 7639 (2004).}. A similar mechanism has been invoked for HOONO,...

13. #### MULTI-STATE VIBRONIC INTERACTIONS IN FLUORINATED BENZENE RADICAL CATIONS.

Faraji, S.; Koppel, H.
\maketitle Conical intersections of potential energy surfaces have emerged as paradigms for signalling strong nonadiabatic coupling effects . An important class of systems where some of these effects have been analyzed in the literature, are the benzene and benzenoid cations, where the electronic structure, spectroscopy, and dynamics have received great attention in the literature. In the present work a brief overview is given over our theoretical treatments of multi-mode and multi-state vibronic interactions in the benzene radical cation and some of its fluorinated derivatives. The fluorobenzene derivatives are of systematic interest for at least two different reasons. (1) The reduction...

14. #### DETECTION OF IODINE MONOXIDE RADICALS IN THE MARINE BOUNDARY LAYER USING AN OPEN-PATH CAVITY RING-DOWN SPECTROMETER

Wada, Ryuichi; Beames, Joseph M.; Orr-Ewing, Andrew J.
An open-path cavity ring down spectroscopy (CRDS) instrument for measurement of atmospheric iodine monoxide (IO) radicals has been tested in the laboratory and subsequently deployed in Roscoff as part of the Reactive Halogens in the Marine Boundary Layer (RHaMBLe) project in September 2006. In situ measurements are reported of local IO mixing ratios in the marine boundary layer. \underline{\textbf{58}}, 69, 2007.} The absorption cross section at the bandhead of the IO A$^2\Pi_{3/2}$ - X$^2\Pi_{3/2}$ (3,0) vibronic band was used to obtain the mixing ratios of atmospheric IO. The mixing ratios of IO were obtained on two days, peaked close to...

15. #### HIGH-RESOLUTION SPECTROSCOPY OF {$n$p} RYDBERG STATES OF He$_2$: 1. RYDBERG-STATE-RESOLVED THRESHOLD IONIZATION SPECTRA OF METASTABLE He$_2$

Liu, Jinjun; Sprecher, Daniel; Raunhardt, Matthias; Schafer, Martin; Merkt, Frederic
A supersonic beam of metastable He$_2^*$ a $^3\Sigma_{\rm u}^+$ molecules was generated using a pulsed discharge at the exit of a pulsed valve prior to the gas expansion into vacuum.% , \emph{J. Chem. Phys.} \textbf{128}, 164310 (2008).} Transitions to high $n$p Rydberg states were recorded using photoionization and Rydberg-state-resolved threshold ionization spectroscopy.% , \emph{Chem. Phys. Lett.} \textbf{346}, 201 (2001).} Overview scans at moderate resolution (0.3 cm$^{-1}$) were obtained with ionization fields ranging from 1.3 to 133 V/cm, lowering the ionization thresholds by 5.5 and 55 cm$^{-1}$, respectively. Using a solid-state UV laser system% , \emph{Rev. Sci. Instr.} \textbf{76}, 103103 (2005).}...

17. #### MEASUREMENTS OF THE CO$_2$ 15 $\mu$m BAND SYSTEM BROADENED BY AIR, N$_2$ AND CO$_2$ AT TERRESTRIAL ATMOSPHERIC TEMPERATURES

Smith, M. A. H.; Devi, V. Malathy; Benner, D. Chris; Blake, T. A.; Sams, R. L.
In earth remote sensing, retrievals of atmospheric temperature profiles are often based on observed radiances in infrared spectral regions where emission from atmospheric CO$_2$ predominates. To achieve improved retrieval accuracy, systematic errors in the forward model must be reduced, especially those associated with errors in the spectroscopic line calculation. We have recorded more than 110 new high-resolution infrared spectra of the 15-$\mu$m band system of CO$_2$ to accurately determine line intensities, self-, air- and N$_2$-broadened widths and pressure-induced line shifts, along with their temperature dependences. The spectra were recorded with the Bruker IFS 120 HR Fourier transform spectrometer at Pacific...

18. #### ROTATION AND MATRIX EFFECTS ON THE EPR SPECTRA OF METHYL RADICALS TRAPPED IN GAS SOLIDS

Dmitriev, Yurij A.; Benetis, Nikolas-Ploutarch
A study is presented on EPR spectra of methyl radicals, CH$_3$, matrix-isolated in gas solids at liquid helium temperatures. It was shown very recently \underline {\textbf{21}}(10), 103201 March 2009.} that the peculiar features of the trapped methyl rotor are attributed to the quantum effects of inertial rotary motion and its coupling to the nuclear-spin of the radical. Here, we report an investigation of the spectrum saturation behaviour and present a qualitative consideration of the spectrum anisotropy found earlier. However the broadening is by far smaller than in the expected powder of a fully anisotropic radical with rhombic $hf$-interaction and $g$-tensor...

19. #### ASTRONOMICAL AND ATMOSPHERIC SPECTROSCOPY IN THE SMM/THz: EXPERIMENTS, ANALYSIS, AND CATALOGS.

De Lucia, Frank C.
For many years the needs of the astronomical and atmospheric science communities have directly or indirectly motivated much of the work at this symposium. Interestingly, the power and sophistication of the field instruments have grown at such a rate that the needs for laboratory data seem to be diverging rather than converging. The central role played by catalogs will be discussed, as well as their impact on the spectroscopic community.

20. #### INVESTIGATION OF THE AMIDE I BAND OF N-METHYLACETAMIDE IN SOLID PARAHYDROGEN USING FTIR SPECTROSCOPY

Paulson, Leif O.; Anderson, David T.
We report the FTIR spectra of the Amide I and Amide A vibrational modes of N-methylacetamide (NMA, CH$_3$CONHCH$_3$) isolated in a solid parahydrogen (pH$_2$) matrix. NMA is one of the simplest molecules that contains the peptide bond and has therefore been the subject of numerous studies, especially those concerning peptide structure and dynamics. Solid pH$_2$ is a unique quantum solid matrix host that, among other features, allows for high-resolution IR studies of trapped dopant species. In our preliminary report, talk R008 (2006)} we showed that the Amide I lineshape was surprisingly broad and shifts were observed with small changes in...

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