Global fitting of the vibrational-rotational line positions of the acetylene molecule

2000 ◽  
Author(s):  
Oleg M. Lyulin ◽  
Valery I. Perevalov ◽  
Sergey A. Tashkun ◽  
Jean-Luc Teffo
Keyword(s):  
Rotational Line ◽  
Acetylene Molecule ◽  
Line Positions ◽  
Global Fitting

16O13C18O: high-resolution absorption spectrum between 4000 and 9500cm−1 and global fitting of vibration–rotational line positions

2003 ◽  
Vol 222 (2) ◽  
pp. 276-283 ◽  
Author(s):  
Y. Ding ◽  
V.I. Perevalov ◽  
S.A. Tashkun ◽  
J.-L. Teffo ◽  
A.-W. Liu ◽  
...  
Keyword(s):  
Absorption Spectrum ◽  
High Resolution ◽  
Rotational Line ◽  
Line Positions ◽  
Global Fitting

Born–Oppenheimer breakdown in the ground state of carbon monoxide: A direct reduction of spectroscopic line positions to analytical radial Hamiltonian operators

1992 ◽  
Vol 70 (1) ◽  
pp. 40-54 ◽  
Author(s):  
John A. Coxon ◽  
Photos G. Hajigeorgiou
Keyword(s):  
Carbon Monoxide ◽  
Ground State ◽  
Direct Reduction ◽  
Direct Determination ◽  
Quantum Mechanical ◽  
Rotational Line ◽  
Molecular Constants ◽  
Full Account ◽  
Radial Wave ◽  
Line Positions

A collection of 10 866 of the most precise ground-state (X1Σ+) vibration–rotational and pure rotational line positions of four carbon monoxide isptopomers (12C16O, 12C18O, 13C16O, and 13C18O) is employed simultaneously in a direct determination of the radial Hamiltonian operator in compact analytical form. The 22-parameter isotopically self-consistent operator takes full account of the Born–Oppenheimer breakdown and its quantum-mechanical eigenvalues represent all the available spectroscopic line positions of CO isotopomers to within the experimental uncertainties. Rayleigh–Schrödinger perturbation theory is employed to calculate quantum-mechanical molecular constants of rotation (Bν – Mν) for nine common isotopomeric forms of CO. Together with the quantum-mechanical vibrational eigenvalues these are fully consistent with the exact eigenvalues obtained by direct solution of the radial wave equation. The set of constants is expected to provide an accurate prediction of line positions of CO isotopomers that have not yet been experimentally observed.

Global fitting of line intensities of acetylene molecule in the infrared using the effective operator approach

2003 ◽  
Vol 218 (2) ◽  
pp. 180-189 ◽  
Author(s):  
V.I. Perevalov ◽  
O.M. Lyulin ◽  
D. Jacquemart ◽  
C. Claveau ◽  
J.-L. Teffo ◽  
...  
Keyword(s):  
Effective Operator ◽  
Operator Approach ◽  
Acetylene Molecule ◽  
Line Intensities ◽  
Global Fitting

On the Infrared A2Πi - X2∑+ System of Aluminium Monoxide in Relation with the Spectra of M Giant- and Mira-Type Stars

1984 ◽  
Vol 39 (11) ◽  
pp. 1049-1055 ◽  
Author(s):  
A. Bernard ◽  
R. Gravina
Keyword(s):  
Dissociation Constants ◽  
Partition Functions ◽  
Vacuum Line ◽  
Condon Factors ◽  
Internal Partition ◽  
Mira Type Stars ◽  
Franck Condon ◽  
Line Positions ◽  
Global Fitting ◽  
Alo Molecule

From combinations between known ultraviolet transitions of the AlO molecule line positions in the A2Πi - X2∑+ system are tentatively proposed. Indeed, the available data on the C2Πr → X2∑+ and C2Πr → A2Πi transitions permit us to derive about 2400 energy level differences in the A-X system corresponding to the six ν-connected bands 0-0, 0-1, 0-2, 1-0, 1-1 and 1-2. A unique and consistent set of rovibrational constants is derived from a global fitting, allowing to reproduce the observed differences with a total standard deviation of 0.053 cm-1. A catalogue of vacuum line wavenumbers in the six bands is generated and can be made available on request. The synthetic spectra are expected to represent properly the true spectra at least up to J ~ 35.5 and can therefore be of usefulness for the detection of the system in the spectra of M giant- and Mira-type stars.Franck-Condon factors and r-centroïds appropriate to RKR potentials and estimates of intensities in emission are given for bands up to ν′ = 5, v″ = 8.More reliable values for the internal partition functions and dissociation constants of AlO are computed for temperatures between 1000 and 8000 K. All the known and predicted electronic states are taken into account, and present or recent values for the molecular parameters and dissociation energy are used.

High-resolution spectroscopy of the (000)–(000) band of the CaOD radical

1994 ◽  
Vol 72 (11-12) ◽  
pp. 1200-1205 ◽  
Author(s):  
Mingguang Li ◽  
John A. Coxon
Keyword(s):  
High Resolution ◽  
Gas Phase ◽  
Ground State ◽  
Measurement Accuracy ◽  
Isotope Effects ◽  
Spin Rotation ◽  
High Resolution Spectroscopy ◽  
Rotational Line ◽  
Measured Line ◽  
Line Positions

The [Formula: see text] (000)–(000) band of the gas-phase CaOD radical has been rotationally analyzed using high-resolution laser spectroscopy. The technique of intermodulated fluorescence was employed to resolve the small spin-rotation splittings in the ground state. The measurement accuracy of the rotational line positions was 0.003 cm−1. The measured line positions have been employed in a least-squares estimation of the molecular constrants for both electronic states. Isotope relations between the constants of CaOH and CaOD are examined, and the constants AD and γ for the Ã2Π(000) level were separated using isotope effects.

Fourier transform spectroscopy of the Herzberg I bands of O2

1994 ◽  
Vol 72 (11-12) ◽  
pp. 1101-1108 ◽  
Author(s):  
K. Yoshino ◽  
J. E. Murray ◽  
J. R. Esmond ◽  
Y. Sun ◽  
W. H. Parkinson ◽  
...  
Keyword(s):  
Fourier Transform ◽  
Wavelength Region ◽  
Rotational Line ◽  
Molecular Constants ◽  
Absorption Bands ◽  
Weakly Bound ◽  
Vibrational Levels ◽  
J 13 ◽  
Line Positions ◽  
Made In

Fourier transform spectroscopic measurements of the absorption bands of the Herzberg I system [Formula: see text] of O2, have been made in the wavelength region 240–270 nm. Rotational line positions are determined with an accuracy of 0.005 cm−1, and rotational term values are presented for the vibrational levels, ν = 4–11. Molecular constants of these levels are also presented. Interactions with the [Formula: see text] state are observed at J = 13 of the ν = 4 level, at J = 16 of the ν = 7 level, and at J = 15 and 24 of the ν = 9 level of the [Formula: see text] state. Another interaction around J = 10 of the ν = 11 level might result from the weakly bound 3Πu state.

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