Search results for "hot band"
showing 7 items of 27 documents
Accurate spectroscopic constants of nitrogen determined from stimulated Raman spectra of the fundamental and first hot bands
1990
Nitrogen spectra of the Q-branch of the fundamental and the first hot bands were recorde with a high-resolution stimulated Raman spectrometer at atmospheric pressure and ca. 1300 K. The absolute frequencies of the Raman lines were measured with high accuracy, leading to a refinement of spectroscopic constants. A temperature estimation was also performed from the Raman intensities.
Resolving the forbidden band of SF6
2013
Sulfur hexafluoride is an important molecule for modeling thermophysical and polarizability properties. It is also a potent greenhouse gas of anthropogenic origin, whose concentration in the atmosphere, although very low is increasing rapidly; its global warming power is mostly conferred by its strong infrared absorption in the ν3 S-F stretching region near 948 cm(-1). This heavy species, however, features many hot bands at room temperature (at which only 31% of the molecules lie in the ground vibrational state), especially those originating from the lowest, v6 = 1 vibrational state. Unfortunately, the ν6 band itself (near 347 cm(-1)), in the first approximation, is both infrared- and Raman…
On the study of the vibrational energy levels of Arsine molecule
2008
Abstract We compare two formalisms applied to the vibrational modes of the molecule of AsH 3 of C 3 v molecular symmetry group. Indeed, the close stretching modes of this molecule may be considered as those of a three-dimensional oscillator whereas the bending modes may be considered either as a one-dimensional oscillator of symmetry A 1 and a two-dimensional oscillator of symmetry E or as an approximate three-dimensional oscillator. So, we have applied the U ( p + 1) formalism to the both stretching and bending modes and introduced coupling terms acting on an appropriate coupled vibrational basis through a local mode formalism. We have then compared the result of our fitting with those ob…
Rotational State Change of Acetonitrile Vapor on MCM-41 upon Capillary Condensation with the aid of Time-Correlation Function Analysis of IR Spectros…
2000
The infrared spectra of adsorbed acetonitrile on MCM-41 (porewidth = 3.2 nm) were measured at 303 K. In the CN stretching ν2 region, two bands were observed at 2265 cm− 1 and 2254 cm− 1, assigned to hydrogen-bonded molecules on surface hydroxyls of MCM-41, and physisorbed molecules in mesopores, respectively. We designate here the 2265 cm− 1 band as the ν2α band and the 2254 cm− 1 band as the ν2β band. The bandwidth of the fundamental transition ν2fβ, was obtained by removing the overlap with hot band transitions of the same mode, ν2α band, and other modes by least-squares fitting. Before capillary condensation, the relaxation time τ obtained from the bandwidth of the ν2fβ band was smaller …
High-resolution spectroscopy of difference and combination bands of SF6 to elucidate the ν3 + ν1 − ν1 and ν3 + ν2 − ν2 hot band structures in the ν3 …
2014
The strong infrared absorption in the ν3 S–F stretching region of sulphur hexafluoride (SF6) near 948 cm−1 makes it a powerful greenhouse gas. Although its present concentration in the atmosphere is very low, it is increasing rapidly, due to industrial pollution. The ground state population of this heavy species is only 32% at room temperature and thus many hot bands are present. Consequently, a reliable remote-sensing spectroscopic detection and monitoring of this species require an accurate modelling of these hot bands. We used two experimental set-ups at the SOLEIL French synchrotron facility to record some difference and combination bands of SF6: (1) a new cryogenic multiple pass cell w…
Preliminary analysis of CH3D from 3250 to 3700 cm(-1)
2006
International audience; The infrared spectrum of CH3D from 3250 to 3700 cm(-1) was studied for the first time to assign transitions involving the nu(2) + nu(3), nu(2) + nu(5), nu(2) + nu(6), nu(3) + 2(nu 6) and 3 nu(6) vibrational states. Line positions and intensities were measured at 0.011 cm(-1) resolution using Fourier transform spectra recorded at Kitt Peak with isotopically enriched samples. Some 2852 line positions (involving over 900 upper state levels) and 874 line intensities were reproduced with RMS values of 0.0009 cm(-1) and 4.6%, respectively. The strongest bands were found to be nu(2) + nu(3) at 3499.7 cm(-1) and nu(2) + nu(6) at 3342.5 cm(-1) with integrated strengths, respe…
Vibrational Perturbations and Ligand–Layer Coupling in a Single Crystal of Au144(SC2H4Ph)60 Nanocluster
2015
We have determined vibrational signatures and optical gap of the Au144(PET)60 (PET: phenylethylthiol, SC2H4Ph) nanocluster solvated in deuterated dichloromethane (DCM-D2, CD2Cl2) and in a single crystal. For crystals, solid-state (13)C NMR and X-ray diffraction were also measured. A revised value of 2200 cm(-1) (0.27 eV) was obtained for the optical gap in both phases. The vibrational spectra of solvated AU144(PET)60 closely resembles that of neat PET, while the crystalline-state spectrum exhibits significant inhomogeneous spectral broadening, frequency shifts, intensity transfer between vibrational modes, and an increase in the overtone and combination transition intensities. Spectral broa…