Showing papers in "Journal of Molecular Spectroscopy in 1995"

TL;DR: In this paper, the A 2 Δ- X 2 Π system of the CH radical has been photographed in emission from a Geissler tube using conventional spectroscopic techniques, and the 3-3 and 2-3 bands with a total number of 144 lines have been recorded for the first time.

TL;DR: In this paper, the carbon-13 shift data are used to assign the vibronic spectra of the singly and doubly carbon 13 substituted species of HCC and DCC.

TL;DR: In this article, the authors developed the rovibronic Hamiltonian, basis functions, and matrix elements necessary to determine the energy levels and wavefunctions in the situation that two potential energy surfaces touch at the linear configuration.

TL;DR: In this paper, the authors measured CO 2 -broadened halfwidths of 31 transitions belonging to the ν 1, 2ν 2, and ν 3 bands of water vapor at T = 294.4 K.

TL;DR: In this paper, the authors used the solar spectrum to discover OH lines with high rotational quantum numbers, which do not appear on laboratory spectra, among which about 400 were observed for the first time.

TL;DR: In this article, the authors proposed a method to solve the problem of energy-efficient energy harvesting in the context of the National Institute of Standards and Technology (NIST) in the USA.

TL;DR: In this article, a full vibronic analysis of the D1 → D0 transitions for all three isomers has been carried out, allowing for unambiguous assignments of the gas-phase ground state vibrational frequencies.

TL;DR: In this article, potential curves and spectroscopic constants for the Li 2 molecule dissociating into 2 s + 2 s, 2 s+ 2 s, 2 s−2 p,2 s−3 p, 2 p+2 p,2 s + 3 p, and 2 s −3 d atomic configurations (49 states) were obtained from CI calculations with electronic core potentials, including core polarization effects.

TL;DR: In this paper, the Born-Oppenheimer energies and adiabatic corrections have been computed for the I and R 1 Π g, J and S 1 Δ g and j and s 3 Δ g electronic states.

TL;DR: In this article, a global fit of a ν t = 0 and J ≤ 20 methanol data set containing some 730 microwave lines and 1320 Fourier-transform far-infrared transitions was carried out, using a theoretical model and computer program successfully applied previously to acetaldehyde torsion rotation levels below the barrier.

TL;DR: In this paper, four surfaces giving the dipole moment for water as a function of internuclear separations are compared and used to predict intensities for transitions involving J = 0 - 1 and Q -branch transitions for J = 5 and 10.

TL;DR: In this article, the ν6 torsional substates (n, τ) = (0, 1), (1, 2), (2, 3) and (3, 4) were measured and satisfactorily calculated.

TL;DR: The rotational spectrum of CH3CHF2 in its ground state was measured up to 653 GHz and the internal rotation splittings were analyzed using the internal axis method.

TL;DR: In this paper, a reduced effective Hamiltonian and dipole moment approach based on contact transformation was applied to the band intensities problem of carbon dioxide and the experimental rotationless electric-dipole transition moments of the 12 C 16 O 2 bands lying in the 15- and 4.3-μm regions have been fitted to parameters of the expansion of the effective dipole moments matrix elements.

TL;DR: In this paper, the rotational transition frequencies of H 2 S in the terahertz region were measured precisely up to 1.08 THz by a BWO-based scanning spectrometer at Cologne, Germany, and up to 2.56 THz in Lille, France.

TL;DR: In this article, the vibrational, rotational, and spin-rotation constants for the ground X 2 Σ+ state of the three isotopomers were determined for the A 2 Π state, which is heavily perturbed.

TL;DR: In this paper, the wavelength-resolved fluorescence excitation technique has been used to record the (2,0) band of the C 3 Δ- X 3 Δ system at a resolution of 0.03 cm −1.

TL;DR: In this paper, the infrared spectrum of C 4 H 2, butadyine (also called diacetylene), has been experimentally investigated in the region from 250 to 4300 cm −1 using a Fourier transform spectrometer.

TL;DR: In this article, a simple vibrational Honl-London-type formula for hot-band intensities is tested by measuring the intensities of a number of vibrational transitions, including many hot bands, for HCN.

TL;DR: In this paper, the authors used a program based on the formalism of Herbst et al. to fit microwave and far-infrared data to give a unitless weighted standard deviation of 1.032, using 56 adjustable and 8 fixed parameters.

TL;DR: In this article, the (0, 0) band of the B4Π-X4Σ− system of VO near 7900 A has been analyzed from Doppler-limited Fourier transform emission spectra, together with wavelength-resolved laser-induced fluorescence and sub-Doppler intermodulated fluorescence spectra.

TL;DR: In this paper, the infrared emission spectrum of SH has been observed in the 1850-2800 cm −1 spectral region using a Fourier transform spectrometer and the molecules were excited in a microwave discharge source and the spectra have been recorded at a resolution of 0.005 cm − 1.

TL;DR: In this paper, a multidimensional tunneling theory was developed to predict 16 tunneling components for each R(J) transition from 25 distinct tunneling motions. But, since hydrogen bond interchange motion (which converts a donor into an acceptor) would produce a new and less favorable conformation from an energy viewpoint, it does not occur and only 10 tunneling component are observed for these mixed dimers.

TL;DR: In this article, a product of the ClO+OClO+M reaction at 220K using submillimeter spectroscopy of the reaction products in a flowing gas mixture was identified.

TL;DR: In this article, the 2ν 1 + ν 2 + 2ν 3 band of ozone was observed for the first time, using a Fourier transform spectrometer, at 0.008 cm −1 resolution and using a large path length pressure product.

TL;DR: In this article, the electric dipole transition moments and vibration-rotation constants of the CN stretching bands of H 12 C 14 N and six other isotopomers were reported.

TL;DR: In this article, the authors report experimental line positions and intensities of the 3ν2 and ν2 + ν4 bands of 14NH3 obtained from 0.011 cm−1 unapodized resolution spectra recorded with the Fourier transform spectrometer at Kitt Peak National Observatory.

TL;DR: In this article, the quartic force fields of the H2S, CS2, OCS, and CS molecules have been computed using the CCSD(T) augmented coupled cluster method and spd f and spdfg basis sets.

TL;DR: In this article, the spin-orbit splitting (1394 cm −1 ) is in good agreement with the theoretical value (1200 cm − 1 ) expected from a molecular configuration σ 2 π 4 δ 3 centered on the 3 d 9 atomic shell of the Ni + ion.

TL;DR: In this article, the authors used low-temperature molecular beam laser-induced fluorescence spectra, obtained by supersonic jet cooling, to investigate the orange system of FeO.