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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(84)Kr
Theoretical potential energy curves correlated with Rb 52D, 72S, and 42F. Green emission "bands" near the Rb 6s-5s forbidden transitions Tam, Moe, et al., 1975; similar features in absorption Besombes, Granier, et al., 1969.
Potential energy curves for the four following states have been constructed from studies 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. Only the Pi curves have deep potential wells with De ~ 420 cm-1 and re ~ 3.5 Å
B 2Sigma+ 
A 2Pi3/2 
A 2Pi1/2 
X 2Sigma+ 0    1     5.29 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. Bouchiat, Brossel, et al., 1972, Bouchiat and Pottier, 1972. Average values for the spin-rotation interaction have been derived from these observations gammabar = 0.0000216 for RbKr and gammabar ~ 0.000052 for RbXe.
2From atomic scattering data Buck and Pauly, 1968, see also Baylis, 1969,6.


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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]

Bouchiat, Brossel, et al., 1972
Bouchiat, M.A.; Brossel, J.; Pottier, L.C., Evidence for Rb-rare-gas molecules from the relaxation of polarized Rb atoms in a rare gas. Experimental results, J. Chem. Phys., 1972, 56, 3703. [all data]

Bouchiat and Pottier, 1972
Bouchiat, M.A.; Pottier, L.C., RF experiments on Rb-rare-gas van der Waals molecules, J. Phys. (Paris), 1972, 33, 213. [all data]

Buck and Pauly, 1968
Buck, U.; Pauly, H., Interferenzen bei atomaren Sto«beta»prozessen und ihre Interpretation durch ein modifiziertes Lennard-Jones-Potential, Z. Phys., 1968, 208, 390. [all data]

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


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