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.

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 first hexad {(040), (120), (021), (200), (101), (002)} of H218O: experimental energy levels and line intensities

1986 ◽  
Vol 64 (6) ◽  
pp. 746-761 ◽  
Author(s):  
J.-P. Chevillard ◽  
J.-Y. Mandin ◽  
C. Camy-Peyret ◽  
J.-M. Flaud
Keyword(s):  
Fourier Transform ◽  
Water Vapor ◽  
Energy Levels ◽  
Fourier Transform Spectrometer ◽  
Vibrational States ◽  
Line Intensities ◽  
Its Analysis ◽  
Experimental Energy

The spectrum of 18O-enriched water vapor has been recorded between 5900 and 8000 cm−1, with the aid of a Fourier-transform spectrometer. Its analysis allowed the determination of 437 accurate rotational levels belonging to the hexad of interacting states {(040), (120), (021), (200), (101), (002)}of H218O. Among these vibrational states, the (040), (120), and (002) ones had never been observed before. Moreover, 726 line intensities belonging to the 4ν2, ν1 + 2ν2, 2ν2 + ν3, 2ν1, ν1 + ν3, and 2ν3 bands have been measured with an 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%.

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.

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%.

Millimeter Wave Rotational Transitions of 16O12C32S and 16O13C32S

1974 ◽  
Vol 29 (8) ◽  
pp. 1213-1215 ◽  
Author(s):  
N. W. Larsen ◽  
B. P. Winnewisser
Keyword(s):  
Excited States ◽  
Millimeter Wave ◽  
Vibrational Spectra ◽  
Vibrational State ◽  
Vibrational States ◽  
Ground Vibrational State ◽  
Wave Region ◽  
Rotational Transitions ◽  
Good Agreement

Rotational transitions of 16012C32S and 16013C32S in the ground vibrational state and of 16012C32S in several excited states have been accurately measured in the millimeter wave region for a minimum of four different J values. The analysis of the measured frequencies leads to rotational constants for the following vibrational states: 0 00 0 of 16O13C32S and 0 00 0, 0 1 1c 0, 0 1 1d 0, 0 20 0, 0 22c 0, 0 22d 0, 0 00 1 of 16O12C32S. Since the two components of the 0 22 0 transitions were resolved, an analysis of the l-type resonance was carried out and the interval 0 22 0 - 0 20 0 has been determined to be -4.63(10) cm-1. The result is in good agreement with the presently available determination of this level from vibrational spectra.

scholarly journals Колебательно-вращательный анализ "горячей" полосы 2ν_2-ν-=SUB=-2-=/SUB=- молекул -=SUP=-15-=/SUP=-NH-=SUB=-2-=/SUB=-D и -=SUP=-15-=/SUP=-NHD-=SUB=-2-=/SUB=-

2020 ◽  
Vol 128 (1) ◽  
pp. 34
Author(s):  
А.Л. Фомченко ◽  
А.С. Белова ◽  
А.В. Кузнецов
Keyword(s):  
High Resolution ◽  
Initial Data ◽  
Ground State ◽  
Vibrational State ◽  
Energy Levels ◽  
The State ◽  
Energy Structure ◽  
Spectroscopic Parameters ◽  
First Time ◽  
Line Positions

The high-resolution spectra of the “hot” 2ν2-ν2 band of the 15NH2D and 15NHD2 molecules were studied for the first time. The analysis is based on the ground state combination differences method. As a result, the energy structure of the inversion-vibrational state (v2 = 2, s) was obtained for both studied molecules; more than 480 vibrational-rotational transitions of the “hot” bands were assign. The values ​​of the upper energy levels determined on the basis of the line positions were used as initial data to determine the spectroscopic parameters of the state (v2 = 2, s).

Measurements and calculations of self-broadening coefficients of lines belonging to the 2ν2, ν1, and ν3 bands of H216O

1982 ◽  
Vol 60 (1) ◽  
pp. 94-101 ◽  
Author(s):  
J.-Y. Mandin ◽  
C. Camy-Peyret ◽  
J.-M. Flaud ◽  
G. Guelachvili
Keyword(s):  
Transition Probabilities ◽  
Theoretical Calculations ◽  
Energy Levels ◽  
The Self ◽  
Vibrational States ◽  
Dipole Moment Operator ◽  
Moment Operator ◽  
Hot Band ◽  
Fourier Transform Spectra ◽  
Relative Differences

Using Fourier transform spectra (resolution ≈ 0.005 cm−1), the self-broadening coefficients of 340 lines belonging to the 2ν2, ν1 and ν3 bands, and to the ν2 + ν3 − ν2 hot band of H216O, have been measured. The average uncertainty is about 19% and varies from 15 to 28% depending on the line involved. The broadening coefficients, by natural water vapor, of 40 other lines belonging to the ν3 and ν1 bands of H217O and H218O have also been measured. Theoretical calculations of self-broadening coefficients are performed, using the Anderson–Tsao–Curnutte method, and taking into account the four intermolecular interactions: dipole–dipole, dipole–quadrupole, quadrupole–dipole, and quadrupole–quadrupole. In these calculations, accurate spectroscopic data have been used: precise energy levels, realistic wavefunctions, and a complete dipole moment operator expansion in order to compute the transition probabilities. Particularly, all resonances between the three interacting vibrational states (020), (100), and (001) have been fully taken into account. For B-type bands, comparisons are made with the self-broadening coefficients previously calculated by Benedict and Kaplan for the pure rotational lines. The Anderson–Tsao–Curnutte method has proved to be very efficient for calculating self-broadening coefficients: the relative differences between observed and calculated values are less than 20% respectively for 68, 79, and 79% of the lines in the 2ν2, ν1, and ν3 bands. These self-broadening coefficients will be useful for the study of the absorption coefficient in line wings.

Line positions and intensities for the 2ν2, ν1, and ν3 bands of H218O

1980 ◽  
Vol 58 (12) ◽  
pp. 1748-1757 ◽  
Author(s):  
J.-M. Flaud ◽  
C. Camy-Peyret ◽  
R. A. Toth
Keyword(s):  
Dipole Moment ◽  
Transition Moment ◽  
Complete Spectrum ◽  
Normal Coordinates ◽  
Line Intensities ◽  
Line Positions

A very good fit of 434 line intensities of the 2ν2, ν1 and ν3 bands of H218O has been performed leading to the determination of the constants involved in the expansion of the transformed transition moment operators relative to these three bands. It has been possible to derive the values of the coefficients of the expansion of the dipole moment with respect to normal coordinates: 22μx = 0.013 ± 0.003 D, 1μx = −0.020908 ± 0.00023 D, 3μx = 0.096867 ± 0.00099 D.Moreover, using the constants determined from the fit, the complete spectrum of the 2ν2, ν1 and ν3 bands of H218O has been computed including line positions, intensities, and assignments.

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