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Author: jon hougen

Displaying records 11 to 20 of 89 records.
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11. Symmetry and Fourier analysis of the ab-initio-determined torsional variation of structural and Hessian-related quantities for application to vibration-torsion-rotation interactions in CH3OH
Published: 1/11/2010
Authors: Li-Hong Xu, Jon Torger Hougen, Jonathan M. Fisher, Ronald M. Lees
Abstract: The aim of the present paper is to investigate the use of quantum chemistry calculations to obtain the torsional dependence of various structural and vibrational-force-field-related quantities that could help in estimating the vibration-torsion-rotat ...

12. A New Torsion-Rotation Fitting Program for Molecules with a Six-Fold Barrier: Application to the Toluene Microwave Spectrum
Published: 10/29/2009
Authors: Vadim V Ilyushin, Zbigniew Kisiel, Lech Pszczolkowski, Heinrich Maeder, Jon Torger Hougen
Abstract: A new program is described for fitting rotation-torsion energy levels in the molecules like toluene, in which the frame (C6H5) has C2v symmetry and the methyl top has C3v symmetry, i.e., for molecules where the internal rotation barrier is expanded i ...

13. Submillimeter Spectrum and Analysis of Vibrational and Hyperfine Coupling Effects in (HI)2
Published: 10/1/2009
Authors: Laurent H. Coudert, Sergei P. Belov, F. Willaert, B. McElmurry, R. Lucchese, John W. Bevan, Jon Torger Hougen
Abstract: Observed rotational-vibrational transitions of HI dimer in the geared bending mode, centered at 511.9 GHz, are reported. This ~50 kHz high resolution spectrum was recorded using a co-axially configured pulsed jet submillimeter spectrometer and the h ...

14. Strategies for Advanced Applications of Permutation-Inversion Groups to the Microwave Spectra of Molecules with Large Amplitude Motions
Published: 5/4/2009
Author: Jon Torger Hougen
Abstract: This article presents permutation-inversion group-theoretical strategies and recipes that will help a high-resolution molecular spectroscopist attempting to use the existing pedagogical literature to carry out their own treatment of the basic symmet ...

15. Analysis and fit of the high-resolution spectrum of the A 1A u X 1A g LIF spectrum of the two-equivalent-top molecule biacetyl
Published: 4/23/2009
Author: Jon Torger Hougen
Abstract: Abstract The laser-induced visible fluorescence excitation spectrum of the à 1Au (S1) - X̃ 1Ag (S0) transition in biacetyl (CH3-C(=O)-C(=O)-CH3) exhibits a long progression in the torsional vibrations of the two equivalent methyl tops in this ...

16. Assignment, Fit, and Theoretical Discussion of the nu-10 Band of Acetaldehyde Near 509 cm^u-1^
Published: 9/4/2008
Authors: I Kleiner, N Moazzen-Ahmadi, A RW McKellar, Thomas A Blake, G Moruzzi, Jon Torger Hougen
Abstract: The lowest small-amplitude vibration in acetaldehyde (CH3CHO) is the in-plane aldehyde scissors mode ?10 at 509 cm?1. This mode lies about 100 cm?1 above the top of the barrier to internal rotation of the methyl group and is relatively well separate ...

17. Torsion rotation global analysis of the first three torsional states (mt = 0, 1, 2) and terahertz database for methanol
Published: 3/30/2008
Authors: Jon Torger Hougen, Li-Hong Xu, Jonathan M. Fisher, H. Y. Shi, J C Pearson, B J Drouin, G A Blake, R. Braakman
Abstract: Stimulated by recent THz measurements of the methanol spectrum in one of our laboratories, undertaken in support of NASA programs related to the Herschel Space Observatory (HSO) and the Atacama Large Millimeter Array (ALMA), we have carried out a g ...

18. Reinvestigation of the Microwave Spectrum of 2-Methylmalonaldehyde
Published: 1/11/2008
Authors: Vadim V Ilyushin, E A Alekseev, Y C Chou, Y-C Hsu, Jon Torger Hougen, Francis John Lovas, L B Picaux
Abstract: The molecule 2-methylmalonaldehyde (2-MMA) exists in the gas phase as a six-membered hydrogen-bonded ring [HO-CH=C(CH3)-CH=O] and exhibits two large-amplitude motions, an intramolecular hydrogen transfer and a methyl torsion. The former motion is in ...

19. Towards the Complete Analysis of the Rotational Spectrum of (CH^d3^)^d3^SnCl
Published: 1/7/2008
Authors: Melanie Schnell, Jon Torger Hougen, J U Grabow
Abstract: The rotational spectrum of the symmetric top trimethyl tin chloride (CH3)3SnCl has been studied using a pulsed molecular beam Fourier transform microwave spectrometer in the frequency range from 3 to 24 GHz. The spectrum is exceedingly complicated ...

20. Reanalysis of the Microwave Absorption Spectrum of Dimethyl Methylphosphonate and Its Internal Rotation Problem
Published: 1/10/2007
Authors: Nobukimi Ohashia, Jon Torger Hougen
Abstract: The Fourier transform microwave spectrum of dimethyl methylphosphonate studied by us previously is reanalyzed here to obtain more physically reasonable parameters describing the various Coriolis-like couplings between overall rotation and internal ro ...

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