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Topic Area: Molecular Physics

Displaying records 11 to 20 of 27 records.
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11. A New Torsion-Rotation Fitting Program for Molecules with a Six-Fold Barrier: Application to the Toluene Microwave Spectrum
Topic: Molecular Physics
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 ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=903188

12. Microwave Spectrum of 1,2-Propanediol
Topic: Molecular Physics
Published: 9/1/2009
Authors: Francis John Lovas, David F Plusquellic, Brooks Pate, Justin L. Neill, Matt T. Muckle, Anthony J. Remijan
Abstract: The microwave spectrum of the sugar alcohol 1,2-propanediol (CH3CHOHCH2OH) has been measured over the frequency range 6.5 GHz to 25.0 GHz with several pulsed-beam Fourier-transform microwave spectrometers. Seven conformers of 1,2-propanediol have be ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=902388

13. Conflicting Observations Resolved by a Far IR and UV/Vis Study of the NO^d3^ Radical
Topic: Molecular Physics
Published: 5/4/2009
Authors: Helmut Beckers, Helge Willner, Marilyn E Jacox
Abstract: By codeposition of NO/Ne and O2/Ne mixtures at 6 K, weakly bound complexes between O2 and NO are formed. They exhibit a strong, structured charge transfer UV band at lambda(max) = 275 nm. The UV band disappears during UV irradiation of the neon mat ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=901529

14. Strategies for Advanced Applications of Permutation-Inversion Groups to the Microwave Spectra of Molecules with Large Amplitude Motions
Topic: Molecular Physics
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 ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=901502

15. Conformational Effects on Excitonic Interactions in a Prototypical H-bonded Bichromophore: Bis(2-hydroxyphenyl)methane
Topic: Molecular Physics
Published: 4/30/2009
Authors: David F Plusquellic, Nathan Pillsbury, Christian Mueller, Timothy Zwier
Abstract: Laser induced fluorescence (LIF), single vibronic level fluorescence, UV holeburning, and fluorescence-dip infrared (FDIR) spectroscopy have been carried out on bis-(2-hydroxyphenyl)methane (2HDPM) in order to characterize the ground and first excite ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=901215

16. Rotationally Resolved Studies of the Exciton Coupled S1/S2 Origin Regions of Diphenylmethane and the d12 Isotopologue
Topic: Molecular Physics
Published: 12/9/2008
Authors: David F Plusquellic, Kevin O Douglass, Jaime Stearns, Nathan Pillsbury, Timothy Zwier, Christian Muller
Abstract: Rotationally resolved microwave and ultraviolet spectra of jet-cooled diphenylmethane (DPM) and DPM-d^12 have been obtained in S^d0, S^d1 and S2 electronic states using Fourier-transform microwave and UV laser/molecular beam spectrometers. The S0 and ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=842541

17. The Infrared Spectroscopy and Photochemistry of NO^d3^ Trapped in Solid Neon
Topic: Molecular Physics
Published: 11/10/2008
Authors: Marilyn E Jacox, Warren Elwin Thompson
Abstract: NO3 can be stabilized in solid neon either by codeposition at 4.3 K of a Ne:O2 mixture with a Ne:NO mixture that had been passed through a microwave discharge or, in higher yield, by codeposition of a Ne:NO mixture with a Ne:O2 mixture, followed by a ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=842473

18. Assignment, Fit, and Theoretical Discussion of the nu-10 Band of Acetaldehyde Near 509 cm^u-1^
Topic: Molecular Physics
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 ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=841027

19. Ultrafast Dynamics of Model Molecular Photoswitches in Solid Phase
Topic: Molecular Physics
Published: 12/18/2007
Authors: Tung T. To, Edwin J Heilweil
Abstract: Ultraviolet pump, infrared probe transient absorption studies of the chelatable compound 1, [Mn{?5-C5H4C(O)(SCH3)3}(CO)3], dispersed in room temperature, ~25 m thick polyacryclonitrile (PAN) films are reported for the first time. Irradiation of 1 ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=841099

20. The water-oxygen dimer: first-principles calculation of an extrapolated potential energy surface and second virial coefficients.
Topic: Molecular Physics
Published: 8/20/2007
Authors: Allan H Harvey, Richard J. Wheatley
Abstract: The Systematic Intermolecular Potential Extrapolation Routine (SIMPER) is applied to the water-oxygen complex to obtain a five-dimensional potential energy surface. This is the first application of SIMPER to open-shell molecules, and it is the first ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=50514