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Constants of diatomic molecules

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Klaus P. Huber and Gerhard H. Herzberg

Data collected through July, 1977

Symbols used in the table of constants
State electronic state and / or symmetry symbol
Te minimum electronic energy (cm-1)
ωe vibrational constant – first term (cm-1)
ωexe vibrational constant – second term (cm-1)
ωeye vibrational constant – third term (cm-1)
Be rotational constant in equilibrium position (cm-1)
αe rotational constant – first term (cm-1)
γe rotation-vibration interaction constant (cm-1)
De centrifugal distortion constant (cm-1)
βe rotational constant – first term, centrifugal force (cm-1)
re internuclear distance (Å)
Trans. observed transition(s) corresponding to electronic state
ν00 position of 0-0 band (units noted in table)
Diatomic constants for (85)Rb(132)Xe
Green emission "bands" near the Rb 6s-5s and 4d-5s forbidden transitions Tam, Moe, et al., 1975; similar features in absorption Besombes, Granier, et al., 1969.
Potential curves for the four following states have been constructed from the study of the far-wing emission spectra of the Rb resonance lines Drummond and Gallagher, 1974 Carrington and Gallagher, 1974; near-wing intensities measured by Ottinger, Scheps, et al., 1975. B 2Sigma is repulsive, A2Pi attractive with De ~ 650 cm-1 and re ~ 3.43 Å. Teratomic recombination in A2Pi1/2 Carrington and Gallagher, 1974, 2 Scheps and Gallagher, 1976.
B 2Sigma+ 
A 2Pi3/2 
A 2Pi1/2 
X 2Sigma+ 0    1     4.97 2  


1The existence of Rb-rare-gas van der Waals molecules has been shown in relaxation experiments on optically polarized Rb atoms; see e.g. Drummond and Gallagher, 1974, Carrington and Gallagher, 1974, 2. Average values for the spin- rotation interaction have been derived from these observations gammabar = 0.0000216 for RbKr and gammabar ~ 0.000052 for RbXe.
2Pseudopotentia1 calculations Baylis, 1969; see also Nikiforov and Shcherba, 1972, Drummond and Gallagher, 1974.


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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Tam, Moe, et al., 1975
Tam, A.; Moe, G.; Park, W.; Happer, W., Strong new emission bands in alkali-noble-gas systems, Phys. Rev. Lett., 1975, 35, 85. [all data]

Besombes, Granier, et al., 1969
Besombes, F.; Granier, J.; Granier, R., Bandes satellites observees en absorption pres des raies interdites du rubidium: 5S-4D5/2,3/2, Opt. Commun., 1969, 1, 161. [all data]

Drummond and Gallagher, 1974
Drummond, D.L.; Gallagher, A., Potentials and continuum spectra of Rb-noble gas molecules, J. Chem. Phys., 1974, 60, 3426. [all data]

Carrington and Gallagher, 1974
Carrington, C.G.; Gallagher, A., Blue satellite bands of Rb broadened by noble gases, Phys. Rev. A: Gen. Phys., 1974, 10, 1464. [all data]

Ottinger, Scheps, et al., 1975
Ottinger, Ch.; Scheps, R.; York, G.W.; Gallagher, A., Broadening of the Rb resonance lines by the noble gases, Phys. Rev. A: Gen. Phys., 1975, 11, 1815. [all data]

Carrington and Gallagher, 1974, 2
Carrington, C.G.; Gallagher, A., Teratomic recombination of excited RbXe, J. Chem. Phys., 1974, 60, 3436. [all data]

Scheps and Gallagher, 1976
Scheps, R.; Gallagher, A., Teratomic recombination in alkali metal-noble gas vapors, J. Chem. Phys., 1976, 65, 859. [all data]

Baylis, 1969
Baylis, W.E., Semiempirical, pseudopotential calculation of alkali-noble-gas interatomic potentials, J. Chem. Phys., 1969, 51, 2665. [all data]

Nikiforov and Shcherba, 1972
Nikiforov, E.V.; Shcherba, L.D., Potentials of interaction between alakli metal and inert gas atoms, Opt. Spectrosc. Engl. Transl., 1972, 32, 567, In original 1047. [all data]


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