Showing papers in "Journal of Molecular Spectroscopy in 2009"

TL;DR: In this paper, a global fit within experimental accuracy of microwave rotational transitions in the ground and first excited torsional states (VT = 0 and 1) of methylformate (HCOOCH3) is reported, which combines older measurements from the literature with new measurements from Kharkov.

TL;DR: In this article, the Fourier transform microwave spectrum of ethyl acetate has been measured under molecular beam conditions and the trans conformer, where all heavy atoms are located within a mirror plane, was identified after analyzing the spectrum by comparison with theoretical calculations.

TL;DR: In this paper, the vibration-rotation spectra of NH have been investigated using laboratory spectra and infrared solar spectra recorded from orbit by the ACE and ATMOS instruments, and an improved set of molecular constants and term values have been derived for the X 3 R � and A 3 P states.

TL;DR: The second overtone band 3 ν 1 of sulfur dioxide has been studied for the first time with high resolution rotation-vibration spectroscopy in this paper, where an effective Hamiltonian taking into account accidental interactions between the vibrational states (3, 0, 0), (2, 2, 0) and (0, 4, 1) was used.

TL;DR: In this paper, the Fourier transform Bruker IFS-120 HR interferometer has been used for the first time to record two weak stretching bands of the sulfur dioxide molecule.

TL;DR: In this paper, the high resolution absorption spectrum of methane has been recorded at liquid nitrogen temperature by direct absorption spectroscopy between 1.62 and 1.71μm using a newly developed cryogenic cell and a series of distributed feedback (DFB) laser diodes.

TL;DR: In this article, the microwave spectrum of the sugar alcohol 1,2-propanediol (CH3CHOHCH2OH) has been measured over the frequency range 6.5-25.0 GHz with several pulsed-beam Fourier-transform microwave spectrometers.

TL;DR: In this article, the halfwidth, its temperature dependence, and the line shift have been made for the rotation band transitions of H 2 16 O for N 2 or O 2, as the bath molecule.

TL;DR: The most rigorous ab initio theory of intra-molecular dynamics for the simplest polyatomic molecule, H þ 3, has been proposed in this article, based on the observed ro-vibrational spectral lines of the molecule.

TL;DR: In this article, the interference between apertures of the metallic mesh in the diagonal direction was investigated for high-sensitivity observations by focusing on the "dip", that is, a sudden change in transmittance that only appeared when the terahertz wave was obliquely incident onto the metallic meshes.

TL;DR: In this paper, the potential energy curves, permanent and transition dipole moments as well as spin-orbit and angular coupling matrix elements between the KCs electronic states converging to the lowest three dissociation limits were evaluated in the basis of the spin-averaged wavefunctions corresponding to pure Hund's coupling case.

TL;DR: Muller et al. as discussed by the authors, J.B.Drouin, F.H.Cole, A.A.Maiwald, J.C.Green, and A.S.

TL;DR: In this paper, the potential energy and dipole moment surfaces for the electronic ground state of HSOH, calculated by the Coupled Cluster Theory with single and double substitutions and a perturbative treatment of connected triple excitations, were presented.

TL;DR: In this article, the microwave spectrum of formamide has been obtained in the frequency range from 49 to 340 GHz using the microwave spectrometer at the Institute of Radio Astronomy of NASU, Kharkov, Ukraine.

TL;DR: In this article, a general formula of Franck-Condon integral for two-dimensional harmonic oscillators was derived taking into account the Duschinsky effect and applied to study the photoelectron spectroscopy of SO2 and SO 2 -.

TL;DR: In this article, a connection between an algebraic approach to the dynamics of triatomic molecules based on the U(2) × U(3) ×U(2)-Lie algebra and the traditional description in configuration space is presented.

TL;DR: In this article, the Fourier transform spectra of a sample of sulfur dioxide, enriched in 34 S (95.3%), were completely analyzed leading to a large set of assigned lines.

TL;DR: In this article, the highly excited stretching and bending vibrational energy levels of some Nickel Metalloporphyrin molecules are studied by U (2) algebraic model with fewer algebraic fitting parameters.

TL;DR: In this paper, the authors present permutation-inversion group-theoretical strategies and recipes aimed at helping a high-resolution molecular spectroscopist use the existing pedagogical literature to carry out their own treatment of the basic symmetry questions in rotating molecules with large-amplitude vibrational motions.

TL;DR: Fu Su and Quade, J. Phys. Spec. as mentioned in this paper, and Oesterling, Albert, De Lucia, Sastry, and Herbst, Astrophys. J.

TL;DR: In this paper, the rotational spectrum of ZnO has been measured in its ground X 1 Σ + and excited a 3 Π i states using direct-absorption methods in the frequency range 239-514 GHz.

TL;DR: In this paper, the rotational energy levels of the SH + (sulfoniumylidene) radical in the v ǫ = 0 and 1 levels of X 3 Σ − ground state have been subjected to a single, weighted least-squares fit to determine an improved set of molecular parameters for this molecule.

TL;DR: In this article, a number of newly-discovered vibrational levels of the S 1 - trans (A 1 A u ) state of C 2 H 2 have been reported, where the Franck-Condon active ν 2 ′ and ν 3 ′ vibrational modes are excited together with the low-lying bending vibrations.

TL;DR: In this paper, a semi-experimental quadratic, cubic and semi-diagonal quartic force field of nitric acid has been calculated at the CCSD(T) level of theory employing a basis set of triple-ζ quality.

TL;DR: In this paper, a mass dependent effective potential energy function is used to retrieve rotation-torsion energy levels making use of a flexible model and deriving a four dimensional Hamiltonian.

TL;DR: In this article, the authors measured the N 2 -broadening coefficients of 12 absorption lines in the ν 4 + ν 5 band of acetylene at room temperature, using a tunable diode-laser spectrometer.

TL;DR: In this paper, an exact variational algorithm is presented for calculating vibrational energy levels of pentaatomic molecules without any dynamical approximation, where the quantum mechanical Hamiltonian of the system is expressed in a set of orthogonal coordinates defined by four scattering vectors in the body-fixed frame.

TL;DR: In this paper, Cavagnat et al. applied the adiabatic separation of large-amplitude torsional motion from small amplitude vibrations to interpret the results of fully coupled quantum calculations on a model methanol Hamiltonian.

TL;DR: Butler et al. as discussed by the authors proposed a method to extract the spectral properties of Mol. Spectrosc, which is similar to the one we use in this paper, but with a slightly different approach.

TL;DR: In this article, the authors compared the spectral range of GaInAsSb/AlGaAsSsb based diode laser and 66 K InAs Sb/InAs SbsbP laser diode and showed that the detection limit (less than 10 ppbV) of formaldehyde was achieved in the 2820 cm −1 spectral range in the case of InAs sb/inAs sbsbp laser (fundamental bands of ν 1, ν 5 ).