Showing papers in "Journal of Molecular Spectroscopy in 1984"

TL;DR: In this paper, 100 new spectral lines of gas-phase methanol in the millimeter and submillimeter region (viz. 150-1000 GHz) corresponding to rotational transitions in the two lowest torsional states were measured and assigned.

TL;DR: In this article, the absolute extinction coefficient and oscillator strength of pyridine, pyrimidine, pyrazine, and s-triazine were recorded with moderate resolution in the region of 3.5-9.5 eV.

TL;DR: In this paper, the authors extended the results of Brault and Davis on the spectrum of ArH+ and found a new spectrum of KrH+ in the rare gases mixed with small amounts of H2.

TL;DR: The high-resolution (006 cm−1) FT-IR spectra of pyridine at various path lengths (up to 10 m) have been obtained in this paper.

TL;DR: In this paper, a single-frequency, tunable uv source with a well-collimated supersonic molecular beam and sensitive fluorescence detection has been used to obtain spectra with rovibronic resolution for some large organic molecules.

TL;DR: In this paper, higher-order vibration-rotation perturbation calculations for the X 3 molecular model employing a sequential contact transformation procedure are presented for a general molecule because the principal Coriolis interaction is diagonal in the quantum numbers (V 1, V 2 ).

TL;DR: In this paper, a new determination of the potential energy function of the carbon dioxide molecule from its vibrorotational spectrum is presented, starting from the previous determination made by A. Chedin [J. Mol. Spectrosc. 76, 430,491 (1979)] and from a significantly larger set of updated experimental data, the new potential is shown to provide a better agreement between theoretical and experimental eigengies.

TL;DR: In this article, a tunable diode laser spectrometer has been used to measure spectral line strength at room temperature for spectral lines in the R branch of the ν3 band of 12C16O2.

TL;DR: In this paper, the rotational and vibrational energy levels of the isomers CCN+ and CNC+ have been determined in the following way: a large number of points in the minimum region of the 1Σ+ electronic ground state surfaces of the two ions have been computed by single reference state complete single and double excitations configuration interaction (CI-SD) calculations using canonical SCF orbitals as a molecular orbital basis.

TL;DR: In this article, the spin-orbit coupling and Λ-doubling intervals in the ground state were estimated for the (0, 0) band of a 5Σ-5Π transition where the 5Π lower state is ground state.

TL;DR: In this paper, microwave modulation sidebands of CO2 laser lines were used for sub-Doppler saturation spectroscopy in the ν2 fundamental of NH3 and 15 transitions were observed and their positions were determined with an absolute frequency accuracy of typically ±100 kHz.

TL;DR: In this paper, the major isotopes of water in both ground and first excited vibrational states were measured in the region 300-1100 GHz and the results were used as the basis for centrifugal distortion analyses of these species based solely upon microwave data.

TL;DR: In this article, the effects of a small Jahn-Teller effect and of Coriolis L -uncoupling forces on the rotational energy levels of a degenerate electronic state are considered.

TL;DR: In this paper, self-consistent field (SCF) + configuration interaction (CI) wavefunctions were used to compute potential energy curves of all 2Σ+ and 2Π states lying in the range 0−13.6 eV.

TL;DR: In this article, the half-life of methyleneimine was calculated to be about 10 min, which is much longer than the previously reported values, 0.1 or 10 sec.

TL;DR: In this paper, a diode laser spectrometer was used to measure individual line strengths for 17 R -branch transitions of the ( ν 4 + ν 5 ) 0 combination band of 12 C 2 H 2 at 7.4 μm.

TL;DR: In this paper, the infrared absorption of arsine, AsH3, between 750 and 1200 cm−1 has been recorded at a resolution of 0.006 cm −1.

TL;DR: In this article, high-resolution absorption spectra of diacetylene in the regions 1850−2523 and 2860−3584 cm−1 have been recorded with a Fourier transform spectrometer.

TL;DR: In this paper, the rotational and centrifugal constants for the vibrational states (000, (100), and (001) of the A-type and B-type bands were obtained from a Fourier transform interferometer.

TL;DR: In this article, the ambiguity of effective Hamiltonians for the fundamental degenerate states of the methane-type molecules is studied and the transformations of these Hamiltonians to reduced forms which include only empirically determinable parameters are suggested.

TL;DR: In this article, a semiclassical treatment of the quantum mechanical overlap integrals is presented, showing that the condition for reflection structure is a monotonic difference potential in the range of internuclear distance sampled by the initial wavefunction, whereas interference structure occurs when a polytonic difference potential is sampled.

TL;DR: In this paper, the fundamental vibration rotation bands of OH and OD have been observed with an estimated accuracy of 0.001 cm −1, and simultaneous fits of the infrared and microwave data are performed to improve the molecular constants in the v = 0 and v = 1 states.

TL;DR: In this paper, the infrared absorption spectrum of allylimine in the gas phase was measured for the first time and the spectrum consisted of two rotational isomers, cis and trans, around the CC bond.

TL;DR: In this article, a nonlinear least squares spectral-fitting procedure was used to obtain both line intensities and collision-broadened halfwidths from scans recorded at several different pressures.

TL;DR: In this article, the ambiguity of effective Hamiltonians for triply degenerate F 2 states of tetrahedral molecules is studied on the basis of a set of 70 fits of experimental data for ν 4 of 12 CH 4.

TL;DR: In this paper, the microwave spectrum of the normal species of gauche-ethylamine CH3CH2NH2 and that of -NHD, -NDH, as well as -ND2 isotopic species were measured and assigned.

TL;DR: In this paper, the Stark effects for radiofrequency spectra of the lowest rotational levels of the ground vibrational state of H 2 S, HDS, and D 2 S have been determined by molecular beam electric resonance spectroscopy.

TL;DR: The infrared band strengths of seven vibrational band systems of methyl chloride between 3 and 17 μm were measured at 296 ± 1 K using a Fourier transform infrared (FT-IR) spectrometer as discussed by the authors.

TL;DR: In this paper, the absolute frequencies of 39 lines in the 0002-0000, 2001-0000 and 1201-0000 bands of N2O in the range 4300-4800 cm−1 have been measured by heterodyne frequency techniques.

TL;DR: In this paper, the line intensities as well as self-and nitrogen-broadening coefficients have been determined for 20 transitions in the 2ν2 and ν4 bands of 14NH3 using a diode laser spectrometer.