Search results for "Rotational–vibrational spectroscopy"
showing 10 items of 63 documents
High-resolution rovibrational spectroscopy of c-C3H2+: The ν7 C–H antisymmetric stretching band
2020
Abstract The ν 7 antisymmetric C–H stretching fundamental of c- C 3 H 2 + has been characterized in a cryogenic 22-pole ion trap by a novel type of action spectroscopy, in which the rovibrational excitation of c- C 3 H 2 + is detected as a slowing down of the low-temperature reaction c- C 3 H 2 + + H2 → C 3 H 3 + + H. Ninety-one rovibrational transitions with partly resolved fine structure doublets were measured in high resolution. Supported by high-level quantum chemical calculations, spectroscopic parameters were determined by fitting the observed lines with an effective Hamiltonian for an asymmetric rotor in a doublet electronic ground state, X ˜ A 1 2 , yielding a band origin at 3113.6…
The MIRS computer package for modeling the rovibrational spectra of polyatomic molecules
2003
International audience; The MIRS spectroscopic software for the modeling of ro-vibrational spectra of polyatomic molecules is presented. It is designed for the global treatment of complex band systems of molecules to take full account of symmetry properties. It includes e cient algorithms based on the irreducible tensor formalism. Predictions and simultaneous data fi tting (positions and intensities) are implemented as well as advanced options related to group theory algebra. Illustrative examples on CH3D, CH4, CH3Cl and PH3 are reported and the present status of data available is given. It is written in C++ for standard PC computer operating under Windows. The full package including on-lin…
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 vibrational levels of methane obtained from analyses of high-resolution spectra
2006
International audience; Methane and its tetrahedral isotopologues are spherical-top molecules whose high-resolution rovibrational spectra can only be analyzed in detail, thanks to sophisticated symmetry-adapted tensorial models. However, the effective Hamiltonian parameters of such models do not give direct access to the positions of the vibrational sublevels. In this paper, we present a calculation of the vibrational level positions for 12CH4, 13CH4, 12CD4 and 13CD4 performed using the effective Hamiltonian parameters obtained through recent analyses. We also include the results of a re-analysis of the octad system of 12CH4 performed with a higher order of the development which slightly im…
High resolution Fourier transform infrared spectroscopy and analysis of the ν 6 band of jet-cooled Mo(CO) 6
2000
Abstract Rovibrational FTIR spectra of Mo(CO) 6 have been recorded in supersonic argon expansions at 0.004 cm −1 resolution. Rotational constants have been determined for the ν 6 fundamental band of Mo( 12 CO) 6 and for the parallel band of the symmetric top isotopomer Mo( 13 CO)( 12 CO) 5 . From these results, a precise estimate of the Coriolis parameter for the ν 6 band of the main isotopomer Mo( 12 CO) 6 is derived, necessary for the analysis of the ν 6 spectrum. The observation of an octahedral splitting clearly resolved for the highest J-lines in the R branch prompted the use of a specific treatment based on the tensorial formalism developed by J.P. Champion, M. Loete, G. Pierre (Spher…
Optical Shielding of Destructive Chemical Reactions between Ultracold Ground-State NaRb Molecules
2020
Polar quantum gases represent promising platforms for studying many-body physics and strongly correlated systems with possible applications e.g. in quantum simulation or quantum computation. Due to their large permanent electric dipole moment polar molecules in electric field exhibit strong long-range anisotropic dipole-dipole interactions (DDIs). The creation and trapping of ultracold dipolar diatomic molecules of various species are feasible in many experimental groups nowadays. However long time trapping is still a challenge even in the case of the so called nonreactive molecules which are supposed to be immune against inelastic collisions in their absolute ground state [1] . Various hyp…
Collisional shifting and broadening coefficients for the rovibrational anisotropic lines of the ν1/2ν2 fermi dyad in CO2 gas studied by stimulated Ra…
1998
High-resolution stimulated Raman spectroscopy was applied to the study of collisional broadening and shifting for rovibrational anisotropic Raman lines of the Fermi dyad of molecular carbon dioxide. The O(J) lines of the ν1 band and the S(J) lines of the 2ν2 band were recorded at 295 K. The pressure-induced line shifts were obtained and compared with the overall shift of the high-density Raman Q-branch. A rotational quantum number dependence of the rovibrational line broadening coefficients was observed. The experimental line broadening coefficients were used in order to check the ability of two theoretical methods (random phase approximation and sum rule) for calculating the line broadenin…
High-Resolution Spectroscopy and Structure of Osmium Tetroxide. A Benchmark Study on 192OsO4
2012
Osmium tetroxide (OsO(4)) is a heavy tetrahedral molecule that constitutes a benchmark for quantum chemistry calculations. Its favorable spin statistics (due to the zero nuclear spin of oxygen atoms) is such that only A(1) and A(2) (T(d) symmetry) rovibrational levels are allowed, leading to a dense but quite easily resolvable spectrum. We reinvestigate here the ν(1)/ν(3) stretching fundamental (940-980 cm(-1)) dyad region and perform new assignments and effective Hamiltonian parameter fits for the main isotopologue ((192)OsO(4)). We also investigate the ν(2)/ν(4) bending fundamental dyad (300-360 cm(-1)) for the first time and perform a preliminary analysis. New experimental data have been…
Extended Fourier-transform spectroscopy studies and deperturbation analysis of the spin-orbit coupled A1Σ+ and b3Π states in RbCs.
2014
The article presents a study of the strongly spin-orbit coupled singlet A(1)Σ(+) and triplet b(3)Π states of the RbCs molecule, which provide an efficient optical path to transfer ultracold molecules to their rovibrational ground state. Fourier-transform A(1)Σ(+) - b(3)Π → X(1)Σ(+) and (4)(1)Σ(+) → A(1)Σ(+) - b(3)Π laser-induced fluorescence (LIF) spectra were recorded for the natural mixture of the (85)Rb(133)Cs and (87)Rb(133)Cs isotopologues produced in a heat pipe oven. Overall 8730 rovibronic term values of A(1)Σ(+) and b(3)Π states were determined with an uncertainty of 0.01 cm(-1) in the energy range [9012, 14087] cm(-1), covering rotational quantum numbers J ∈ [6, 324]. An energy-ba…