Calculated energy levels and intensities for the ν1 + ν2 and 3ν2 bands of HDO

1986 ◽  
Vol 64 (6) ◽  
pp. 736-742 ◽  
Author(s):  
A. Perrin ◽  
C. Camy-Peyret ◽  
J. -M. Flaud
Keyword(s):  
Least Squares ◽  
Strong Influence ◽  
Energy Levels ◽  
Rotational Energy ◽  
Transition Moment ◽  
Synthetic Spectrum ◽  
Vibrational States ◽  
Line Intensities ◽  
Least Squares Fit ◽  
Line Positions

A Hamiltonian taking into account both Fermi- and Coriolis-type interactions has been used to reproduce very satisfactorily the available rotational energy levels of the (1 1 0) and (0 3 0) interacting vibrational states of HDO. Then, a least squares fit of the line intensities of the ν1 + ν2 and 3ν2 bands of HDO has provided us with the transformed transition-moment operators of these two bands expanded in a form adapted to the Cs symmetry type of the molecule. The strong influence of the resonances on both line positions and intensities has been exemplified. Finally, the synthetic spectrum of the ν1 + ν2 and 3ν2 hybrid bands of HDO has been computed.

H218O: line positions and intensities between 9500 and 11 500 cm−1. The (041), (220), (121), (300), (201), (102), and (003) interacting states

1987 ◽  
Vol 65 (7) ◽  
pp. 777-789 ◽  
Author(s):  
J. -P. Chevillard ◽  
J. -Y. Mandin ◽  
J.-M. Flaud ◽  
C. Camy-Peyret
Keyword(s):  
Fourier Transform ◽  
Water Vapor ◽  
Energy Levels ◽  
Rotational Energy ◽  
Fourier Transform Spectrometer ◽  
Vibrational States ◽  
Line Intensities ◽  
Line Positions ◽  
Average Uncertainty

The spectrum of 18O-enriched water vapor has been recorded between 9500 and 11 500 cm−1, with the aid of a Fourier-transform spectrometer. Its analysis has allowed the determination of 419 accurate rotational energy levels belonging to seven interacting vibrational states of H218O: (041), (220), (121), (300), (201), (102), and (003). Moreover, 622 line intensities belonging to the 4ν2 + ν3, 2ν1 + 2ν2, ν1 + 2ν2 + ν3, 3ν1, 2ν1 + ν3, ν1 + 2ν3, and 3ν3 bands have been measured with an average uncertainty of 6%.

The spectrum of natural hydrogen sulfide between 2150 and 2950 cm−1

1984 ◽  
Vol 62 (12) ◽  
pp. 1889-1923 ◽  
Author(s):  
L. Lechuga-Fossat ◽  
J.-M. Flaud ◽  
C. Camy-Peyret ◽  
J. W. C. Johns
Keyword(s):  
Hydrogen Sulfide ◽  
Energy Levels ◽  
Careful Analysis ◽  
Vibrational States ◽  
Line Intensities ◽  
Least Squares Fit ◽  
Coupling Parameters ◽  
Line Positions ◽  
Derivatives Of ◽  
Individual Line

Spectra of hydrogen sulfide have been recorded between 2150 and 2950 cm−1 with a Fourier transform spectrophotometer at a resolution of 0.01 cm−1. Most of the absorption in this region is due to the 2ν2, ν1, and ν3 bands of H232S, H233S, and H234S observed in natural abundance. A careful analysis of the spectra, combined with recent data on the ground states of the three isotopic species, led to an improved and extended set of rotational energy levels of the (020), (100), and (001) vibrational states of these isotopes. The rovibrational levels have been subjected to a least squares fit, using a Hamiltonian which takes the effects of Coriolis resonance explicitly into account, and precise rotational and coupling parameters have been determined.About 529 individual line intensities have been measured and from them it has been possible to deduce the expansion of the transformed transition moment operators of the three bands 2ν2, ν1, and ν3 and to determine the first derivatives of the dipole moment[Formula: see text]Finally, a complete list of line positions and intensities of natural hydrogen sulfide has been computed which should be of interest for the analysis of infrared spectra of the giant planets and for pollution studies.

: line positions and intensities between 9500 and 11500 cm−1. The interacting vibrational states (041), (220), (121), (022), (300), (201), (102), and (003)

1989 ◽  
Vol 67 (11) ◽  
pp. 1065-1084 ◽  
Author(s):  
J.-P. Chevillard ◽  
J.-Y. Mandin ◽  
J.-M. Flaud ◽  
C. Camy-Peyret
Keyword(s):  
Fourier Transform ◽  
Water Vapor ◽  
Energy Levels ◽  
Rotational Energy ◽  
Vibrational States ◽  
Line Intensities ◽  
Measured Line ◽  
Fourier Transform Spectra ◽  
Line Positions ◽  
Average Uncertainty

Water vapor Fourier-transform spectra (0.015 cm−1 resolution) were analyzed between 9500 and 11500 cm−1. Accurate values of 557 rotational energy levels, belonging to the interacting vibrational states (041), (220), (121), (022), (300), (201), (102), and (003) of the first decad of [Formula: see text], were determined. Moreover, 718 line intensities were accurately measured (7% uncertainty). To increase the number of experimental intensities (needed for atmospheric applications), a faster method, using the measured line depths, has made it possible to obtain 1695 additional intensities, with an average uncertainty of about 15%.

H216O: Line positions and intensities between 8000 and 9500 cm−1: the second hexad of interacting vibrational states: {(050), (130), (031), (210), (111), (012)}

1988 ◽  
Vol 66 (11) ◽  
pp. 997-1011 ◽  
Author(s):  
J. -Y. Mandin ◽  
J. -P. Chevillard ◽  
J. -M. Flaud ◽  
C. Camy-Peyret
Keyword(s):  
Fourier Transform ◽  
Water Vapor ◽  
Energy Levels ◽  
Rotational Energy ◽  
Vibrational States ◽  
Line Intensities ◽  
Fourier Transform Spectra ◽  
Set Up ◽  
Line Positions ◽  
Average Uncertainty

Water vapor Fourier-transform spectra (resolution = 0.010 cm−1) have been analyzed between 8000 and 9500 cm−1. Accurate values of 441 rotational energy levels, belonging to the vibrational states (050), (130), (031), (210), (111), and (012) of the second hexad of H216O, have been determined. Moreover, 500 line intensities have been accurately measured (uncertainty = 6%). To increase the number of experimental intensities (useful for atmospheric applications), we have set up a less sophisticated but faster method; this has led to the measurement of 1200 additional intensities, with an average uncertainty of about 10%.

H218O: The (030), (110), and (011) interacting states. Line positions and intensities for the 3ν2, ν1 + ν2, and ν2 + ν3 bands

1985 ◽  
Vol 63 (8) ◽  
pp. 1112-1127 ◽  
Author(s):  
J.-P. Chevillard ◽  
J.-Y. Mandin ◽  
J.-M. Flaud ◽  
C. Camy-Peyret
Keyword(s):  
Vibrational State ◽  
Energy Levels ◽  
Fourier Transform Spectrometer ◽  
Vibrational States ◽  
Line Intensities ◽  
Moment Operator ◽  
Line Positions ◽  
Fermi Type ◽  
Effective Constants

The spectrum of oxygen-18 enriched water vapor was recorded between 4400 and 6100 cm−1 with the aid of a Fourier transform spectrometer. Its analysis allowed the determination of 60 energy levels of the (030) vibrational state of H218O and improvements in the knowledge of the energy levels belonging to the (110) and (011) vibrational states of this molecule. A fit of 330 rotational levels of the (030), (110), and (011) states was performed using 54 effective constants and taking into account the Coriolis-type and Fermi-type interactions. Moreover, 853 line intensities belonging to the 3ν2, ν1 + ν2, and ν2 + ν3 bands were measured. The constants involved in the rotational expansion of the transformed transition moment operator corresponding to these bands were determined through a fit of these line intensities. The constants obtained were then used to compute the whole spectrum of the 3ν2, ν1 + ν2, and ν2 + ν3 bands of H218O. This spectrum should be of interest for atmospheric studies.

On the vibration–rotational energy levels of the hydrogen molecular ion HD+

1985 ◽  
Vol 63 (9) ◽  
pp. 1201-1204 ◽  
Author(s):  
L. Wolniewicz ◽  
J. D. Poll
Keyword(s):  
Diatomic Molecules ◽  
Energy Levels ◽  
Rotational Energy ◽  
New Method ◽  
Dissociation Limit ◽  
Radiative Effects ◽  
Vibrational States ◽  
Hydrogen Molecular Ion ◽  
Molecular Ion ◽  
Quantum Numbers

A new method for calculating vibration–rotational energies of diatomic molecules is discussed and applied to the case of HD+. This method is designed to obtain accurate results for all vibrational states including those close to the dissociation limit. Nonadiabatic, relativistic, and radiative effects are taken into account for all the bound vibrational states with rotational quantum numbers J ≤ 5; the estimated accuracy is of the order of 0.001 cm−1.

Absolute line intensities for the ν3 band of oxirane (C2H4O)

2013 ◽  
Vol 91 (11) ◽  
pp. 906-909 ◽  
Author(s):  
M. Ngom ◽  
J.-M. Flaud ◽  
F. Kwabia Tchana ◽  
W.J. Lafferty ◽  
X. Landsheere ◽  
...  
Keyword(s):  
Fourier Transform ◽  
Ethylene Oxide ◽  
Transition Moment ◽  
Line Intensities ◽  
Fourier Transform Spectra ◽  
Line Positions ◽  
Individual Line

Seven Fourier transform spectra of the ν3 band of oxirane (ethylene oxide) have been recorded with different pressures and used to derive individual line intensities. These line intensities were satisfactorily fit leading to accurate transition moment constants. An atlas of line positions and intensities has been generated.

Analysis of the high resolution spectrum of the ν2 and ν5 absorption bands of methyl chloride

1984 ◽  
Vol 62 (3) ◽  
pp. 247-253 ◽  
Author(s):  
M. Morillon-Chapey ◽  
G. Guelachvili ◽  
Per Jensen
Keyword(s):  
Standard Deviation ◽  
High Resolution ◽  
Infrared Spectrum ◽  
Least Squares ◽  
Methyl Chloride ◽  
High Resolution Spectrum ◽  
Vibrational States ◽  
Absorption Bands ◽  
Least Squares Fit

The infrared spectrum of methyl chloride CH3Cl between 1280 and 1650 cm−1 has been recorded at high resolution (0.005 cm−1). The Coriolis interactions between ν2(A1) and ν5(E) and between 2ν3(A1) and ν5 have been investigated through a least squares fit to the transitions observed for CH335Cl. Ten parameters for the three upper vibrational states and three interaction constants have been determined, reproducing the 1200 observed wavenumbers with a standard deviation of 0.002 cm−1. An accidental resonance of the type l(ΔK = 2, Δl = −1) between ν2 and ν5 was found to be present in the spectrum.

Sign in / Sign up

Export Citation Format

Share Document