Browsing Abstracts of OSU International Symposium on Molecular Spectroscopy 2010-2013 by Title
Now showing results 1-20 of 1902
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THE $^{14}$N/$^{15}$N ISOTOPE RATIO IN DENSE MOLECULAR CLOUDS
Adande, G.; Ziurys, L. M. ( 2010 )Observations of the 3-2 and 1-0 transitions of HNC at 271.981 and 90.663 GHz, H$^{15}$NC at 266.567 and 88.865 GHz were conducted using the Arizona Radio Observatory (ARO) 12m at 2 and 3mm in wavelength and Submillimeter ... -
$^{15}$N/$^{14}$N RATIO DETERMINATION IN THE ISM WITH HERSCHEL WITH HIGH RESOLUTION SPECTROSCOPY OF NITROGEN RADICALS
Margules, L.; Bailleux, S.; Wlodarczak, G.; Pirali, O.; Martin-Drumel, M.-A.; Roy, P.; Roueff, E.; Gerin, M. ( 2011 )The very high resolution of the HIFI instrument (134 kHz-1MHz) on board of Herschel needs very accurate laboratory measurements to detect unambiguously the signature of stable and unstable molecular species. Concerning the ... -
2D IR LINE SHAPES FOR DETERMINING THE STRUCTURE OF A PEPTIDE IN A BILAYER
Woys, Ann Marie; Lin, Y. S.; Skinner, J. S.; Zanni, M. T.; Reddy, A. S.; De Pablo, J. J. ( 2010 )Structure of the antimicrobial peptide, ovispirin, on a lipid bilayer was determined using 2D IR spectroscopy and spectra calculated from molecular dynamics simulations. Ovispirin is an $18$ residue amphipathic peptide ... -
3-D SUBMILLIMETER SPECTROSCOPY OF ASTRONOMICAL 'WEEDS' --- EXPERIMENTAL AND THEORETICAL ASPECTS OF DATA PROCESSING AND CATALOGING
Medvedev, Ivan R.; Fortman, Sarah M.; Neese, Christopher F.; De Lucia, Frank C. ( 2010 )In this presentation we report on the latest enhancements and improvements of the temperature resolved 3-dimensional spectroscopic technique as applied to the astronomical `weed' problem. Experimental determination of ... -
3-D SUBMILLIMETER SPECTROSCOPY OF ASTRONOMICAL 'WEEDS' ?-- LATEST RESULTS
Fortman, Sarah M.; Medvedev, Ivan R.; Neese, Christopher F.; De Lucia, Frank C. ( 2010 )We have previously reported on an experimental spectroscopic approach that makes possible the calculation of lower state energy levels and transition strengths without the need for spectral assignment. This approach ... -
3-D SUBMILLIMETER SPECTROSCOPY OF ASTROPHYSICAL 'WEEDS' -- CONTINUED ANALYSIS
Fortman, Sarah M.; Medvedev, Ivan R.; Neese, Christopher F.; De Lucia, Frank C. ( 2011 )In this presentation we report on the latest enhancements of the temperature resolved 3-dimensional spectroscopic technique and the recent results obtained. We have continued the analysis in the 210-270 GHz and 560-650 ... -
A 480 MHz CHIRPED-PULSE FOURIER-TRANSFORM MICROWAVE SPECTROMETER: CONSTRUCTION AND MEASUREMENT OF THE ROTATIONAL SPECTRA OF DIVINYL SILANE AND 3,3-DIFLUOROPENTANE
Obenchain, Daniel A.; Steber, Amanda L.; Elliott, Ashley A.; Peebles, Rebecca A.; Peebles, Sean A.; Wurrey, Charles J.; Guirgis, Gamil A. ( 2010 )A chirped-pulse Fourier-transform microwave (CP-FTMW) spectrometer based on the original Pate design., {\bf 79}, (2008), 053103.} has been constructed to allow analysis of any 480 MHz region in the 7 -- 18 GHz range. A ... -
THE $4\nu_3$ SPECTRAL REGION OF METHANE
Benner, D. Chris; Devi, V. Malathy; O'Brien, J. J.; Shaji, S.; Spickler, P. T.; Houck, C. P.; Coakley, J. A. ( 2010 )The near infrared bands of methane were the first observed in the outer planets and Titan. In this spectral region very long paths within the atmospheres of these objects make scattering and pressure and temperature ... -
THE $4\nu_3$ SPECTRAL REGION OF METHANE
Benner, D. Chris; Devi, V. Malathy; Hays, Jennifer; O'Brien, J. J.; Shaji, S.; Spickler, P. T.; Houck, C. P.; Coakley, J. A.; Haga, Kasie J.; Dolph, Justin D. ( 2011 )The near infrared bands of methane were first observed in the outer planets and Titan where atmospheric ray paths are long. The spectrum is complex, and long absorption paths in the laboratory are difficult to cool to ... -
THE 5-0 OVERTONE BAND OF HCl BY INTRACAVITY LASER ABSORPTION SPECTROSCOPY
O'Brien, James J.; Ryan, Steven A.; O'Brien, Leah C. ( 2011 )The 5-0 overtone band of HCl was recorded using intracavity laser absorption spectroscopy. The experimental conditions provided an effective pathlength of 23.6 km for the 1.81 m long intracavity compartment that contained ... -
65 SCARLET AND GRAY BOOKLETS
Winnewisser, Brenda P. ( 2010 )Delving into the archives, and drawing on the experiences of various spectroscopists, several questions will be addressed, including: What has changed since the first meeting? What has not changed since the first meeting? ... -
AB INITIO AND MODEL-HAMILTONIAN STUDY OF THE TORSIONAL VARIATION OF THE THREE CH STRETCHING NORMAL MODES IN METHANOL
Xu, Li-Hong; Lees, Ronald M.; Hougen, Jon T. ( 2013 )The $\nu_{2}$, $\nu_{3}$ and $\nu_{9}$ CH stretching modes of methanol in the 3$\mu$m region exhibit a significant amount of torsion-vibration interaction, as illustrated for $\nu_{9}$ by the facts that: (i) the three ... -
AB INITIO CLASSICAL DYNAMICS SIMULATIONS OF $CO_2$ LINE-MIXING EFFECTS IN INFRARED BANDS
Lamouroux, Julien; Hartmann, Jean-Michel; Tran, Ha; Snels, Marcel; Stefani, Stefania; Piccioni, Giuseppe ( 2013 )\textit{Ab initio} calculations of line-mixing effects in $CO_2$ infrared bands are presented and compared with experiments. The predictions were carried using requantized Classical Dynamics Molecular Simulations (rCDMS) ... -
AB INITIO INVERSTAGATION OF THE EXCITED STATES OF NUCLEOBASES AND NUCLEOSIDES
Szalay, Peter G.; Fogarasi, Geza; Watson, Thomas; Perera, Ajith; Lotrich, Victor; Bartlett, Rod J. ( 2011 )Most living bodies are exposed to sunlight, essential life sustaining processes are using this natural radiation. Sunlight has, however, several components (has a broad "spectrum") and in particular the invisible component ... -
AB INITIO INVESTIGATION OF $C_2H_2$/X VAN DER WAALS COMPLEXES (X=NOBLE GAS, $CO_2$, $N_2O$)
Lauzin, C.; Cauet, E.; Demaison, J.; Lievin, J. ( 2010 )We will present ab initio calculations performed at the MP2 and CCSD(T) levels of theory on acetylene containing complexes. We used large basis sets including or not midbond functions and corrected all results for the basis ... -
AB INITIO INVESTIGATION OF NH$_3$-O$_2$ EXCIPLEX
Haupert, L. M.; Simpson, G.; Slipchenko, L. V. ( 2010 )In their recent investigation of fluorescence from poly(amido amine) (PAMAM) dendrimers, Chu and Imae suggested an exciplex composed of tertiary amine and oxygen molecules might be responsible for fluorescence in PAMAM ... -
AN AB INITIO MODEL HAMILTONIAN FOR THE $e^{\prime} \otimes e^{\prime}$ and $e^{\prime} \otimes e^{\prime\prime}$ SINGLET STATES OF Si$_3$
Matthews, D. A.; Stanton, J. F. ( 2012 )The recent mass-selected REMPI spectrum of the silicon trimer in the 2.25-2.6 eV region has been partially assigned in terms of a triplet-triplet transition. However, several remaining features appear to be due to transitions ... -
AB-INITIO STUDY OF THE GROUP 2 HYDRIDE ANIONS
Harris, Joe P.; Wright, Timothy G.; Manship, Daniel R. ( 2013 )The beryllium hydride (Be\textperiodcentered \textperiodcentered \textperiodcentered H)\textsuperscript{-} dimer has recently, \textbf{117}, 192, (2013)} been shown to be surprisingly strongly bound, with an electronic ... -
ABSOLUTE LINE INTENSITIES OF HONO AND DONO IN THE FAR INFRARED AND REDETERMINATION OF THE ENERGY DIFFERENCE BETWEEN THE TRANS AND CIS SPECIES OF NITROUS ACID
Sironneau, V.; Flaud, J.-M.; Kleiner, I.; Chelin, P.; Orphal, J. ( 2010 )Nitrous acid is an important species in the atmosphere of the Earth since it is a significant daytime source of OH radicals, known to play an important role in tropospheric ozone formation. It is also a molecule of interest ... -
ABSOLUTE MEASUREMENTS OF NEAR-INFRARED CO$_{2}$ TRANSITION FREQUENCIES AT THE kHz-LEVEL
Long, David A.; Truong, Gar-Wing; Hodges, Joseph T.; Miller, Charles E. ( 2013 )Measurements were made of Doppler broadened CO$_{2}$ transitions in the (30013) $\longleftarrow$ (00001) band near 1.6 $\mu$m using frequency-stabilized cavity ring-down spectroscopy (FS-CRDS). These absolute measurements ...