Search results for "Hot band"
showing 10 items of 27 documents
The high overtone and combination levels of SF6 revisited at Doppler-limited resolution: A global effective rovibrational model for highly excited vi…
2017
Abstract Sulfur hexafluoride is an important prototypal molecule for modeling highly excited vibrational energy flow and multi quanta absorption processes in hexafluoride molecules of technological importance. It is also a strong greenhouse gas of anthropogenic origin. This heavy species, however, features many hot bands at room temperature (at which only 30% of the molecules lie in the ground vibrational state), especially those originating from the lowest, v 6 =1 vibrational state. Using a cryogenic long path cell with variable optical path length and temperatures regulated between 120 and 163 K, coupled to Synchrotron Radiation and a high resolution interferometer, Doppler-limited spectr…
High-resolution spectroscopy and analysis of the V2 + V3 combination band of SF6 in a supersonic jet expansion
2013
International audience; Sulphur hexafluoride is a very strong greenhouse gas whose concentration is increasing in the atmosphere. It is detected through infrared absorption spectroscopy in the strong ν3 fundamental region. Due to the existence of low-lying vibrational states of this molecule, however, many hot bands arise at room temperature and those are still not known. We present here a contribution to the elucidation of this hot band structure, by analysing the ν2 + ν3 combination band. We use a supersonic jet expansion high-resolution spectrum at a rotational temperature of ca. 25 K that was recorded thanks to the Jet-AILES setup at the Source Optimisée de Lumière d'Energie Intermédiai…
The infrared spectrum of CH 3 D between 900 and 3200 cm −1 : extended assignment and modeling
2000
Abstract The high resolution infrared spectrum of CH 3 D in the region from 900 to 3200 cm −1 has been analyzed on the basis of Fourier transform spectra recorded at Kitt Peak and at Giessen. A theoretical model for an effective hamiltonian in terms of irreducible tensor operators recently adapted to symmetric top molecules has been used in order to consider simultaneously all available transitions between the lowest three polyads of the molecule: the Ground State (G.S.), the Triad (three interacting fundamental bands in the 8 μm region) and the Nonad (nine interacting bands in the 4 μm region). A preliminary simultaneous fit of 3467 Triad–G.S., 5208 Nonad–G.S., and 2487 Nonad–Triad (hot ba…
Vibrational spectra and DFT calculations of PPV-oligomers
2003
The first two members of the p-phenylenevinylene- oligomer family (i. e. 1, 4-distyrylbenzene [DSB] and 4, 4'-distyrylstilbene [DSS]) were synthesized and their infrared and Raman spectra recorded and empirically assigned. Molecular geometries were optimized for the planar point group (C2h) by the density functional theory (DFT) method using the B3LYP functional and 6-31G* basis set. Calculations of vibrational spectra, including intensities, were carried out subsequently using the DFT method with the same basis set and linear scaling was applied. Calculated vibrational wavenumbers are in a fair agreement with our own experimental spectra. In order to explore changes in vibrational dynamics…
High-resolution photoacoustic Raman spectroscopy of gases
1992
A high-resolution photoacoustic Raman spectroscopy experiment is described. The resolution achieved by using two single-mode pulsed lasers is about 0.0054 cm −1 (full width at half maximum intensity). The experiment was tested first on the v 1 /2v 2 bands of CO 2 and gave an increase of at least about one order of magnitude in the signal-to-noise ratio with respect to stimulated Raman spectroscopy at low pressure (ca. 10 Torr ≃ 1.3 kPa). The sensitivity is also demonstrated by the study of the weak hot band v 1 +v 2 −v 2 of CO 2 . In both cases, the experimental line shape is well reproduced by taking into account Doppler and collisional effects. A comparison with CARS spectra was also made
From atomic to molecular Bose-Einstein condensates: a physically realizable term-crossing model for cold atom association
2010
Using an exact third-order NL di®erential equation for the molecular state probability, we develop a variational approach which enables us to construct highly accurate analytic approximations describing time dynamics of the coupled atom-molecular system in each of the interaction regimes. We show that the approximation describing time evolution of the molecular state probability both in the weak interaction limit and in the large detuning regime of the strong interaction limit can be written as a sum of two distinct terms; the ¯rst one, being a solution to a limit ¯rst-order NL equation, e®ectively describes the process of the molecule formation while the second one, being a scaled solution…
Analysis of high excited "hot" bands of the SO2 molecule
2011
The main goal of the present study is to analyse rotational structures of highly excited "hot" vibrational bands, v1+2v2-v2 and 2v2+v3-v2, v2+3v3-v2 and 2v1+v2+v3-v2, and v2+2v3-v2. All of these bands are located in the region of considerably stronger bands, v1 + v2 and v2 + v3, 3v3 and 2v1+v3, and 2v3, respectively . On that reason, as the first step of analysis, we made assignments of transitions belonging to these strong bands. As the result of analysis, we were able to assign three times more transitions to the bands v1 + v2 , v2 + v3, and 3v3 (3360 transitions with Jmax. = 78 and Kmax.a = 27 to the band v1 + v2, and 2380 transitions with Jmax. = 69 and Kmax.a = 24 to the band v2 + v3, …
Vibrational modes of the stibine molecule
2005
International audience; In this paper, we use the algebraic approach to describe the vibrational modes of stibine molecule (of C3v molecular symmetry group) up to 21 quanta. As the stibine molecule exhibits stretch-bend resonances, we build an algebraic pyramidal coupling operator between stretching modes and bending modes adapted to this molecule. The standard deviation associated to the fit of the vibrational levels is 1.75 cm-1.
High Resolution Study of the v1 + 2v2 −v2 and 2v2 + v3 − v2 ”Hot” Bands and Ro-Vibrational Re-Analysis of the v1 + v2/v2 + v3/3v3 Poliad of the SO2 M…
2010
The main goal of the present study was to analyse rotational stuctures of two excited vibrational states, (120) and (021). Because both the band, v1+2v2 and 2v2+v3 one are extremally weak, a special efforts were faired to record very weak hot bands, v1+2v2−v2 and 2v2+v3−v2.Both of those bands are located in the region of considerably more stronger combinational bands, v1 + v2 and v2 + v3. On that reason, as the first step of analysis, we made assignments of transitions belonging to these v1 + v2 and v2 + v3 bands. As the result of analysis, we were able to assign three times more transitions to the bands v1 + v2 and v2 + v3 than it was known in the before literature. After "cleaning" the ex…
High-resolution stimulated Raman spectroscopy of O2
1992
Abstract The S S and O O branches of the fundamental vibrational band of molecular oxygen in its electronic ground state have been resolved for the first time in Raman spectroscopy. The spectra have been observed, at room temperature and low pressure, with a stimulated Raman scattering (S.R.S.) spectrometer including a multipass cell. From these accurate Raman data combined with microwave data, we have improved the values of the vibrational, rotational, spin-spin, and spin-rotation interactions constants in the v = 1 vibrational state. Moreover, Raman Q branches of the first and second hot-bands have been recorded, allowing us to determine a set of molecular parameters for the v = 2 and v =…