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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 January, 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 7Li4He
Theoretical calculations of the ground state potential Catlow, McDowell, et al., 1970, Krauss, Maldonado, et al., 1971, Hariharan and Staemmler, 1976 predict De and re values varying from 0.064 eV and 1.98Å to 0.075 eV and 1.92Å respectively. See also Schneiderman and Michels, 1965, Morrison, Akridge, et al., 1975.


Go To: Top, Constants of diatomic molecules, Notes

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

Catlow, McDowell, et al., 1970
Catlow, G.W.; McDowell, M.R.C.; Kaufman, J.J.; Sachs, L.M.; Chang, E.S., Elastic scattering of Li+ by He, J. Phys. B:, 1970, 3, 833. [all data]

Krauss, Maldonado, et al., 1971
Krauss, M.; Maldonado, P.; Wahl, A.C., Interaction energy curves of LiHe and NaHe (X2«SIGMA»+, A2«PI», B2«SIGMA»+) and X1«SIGMA»+ ions, J. Chem. Phys., 1971, 54, 4944. [all data]

Hariharan and Staemmler, 1976
Hariharan, P.C.; Staemmler, V., Potential energy curve of 1«SIGMA»+Li+/He, Chem. Phys., 1976, 15, 409. [all data]

Schneiderman and Michels, 1965
Schneiderman, S.B.; Michels, H.H., Quantum-mechanical studies of several helium-lithium interaction potentials, J. Chem. Phys., 1965, 42, 3706. [all data]

Morrison, Akridge, et al., 1975
Morrison, W.F.; Akridge, G.R.; Ellis, H.W.; Pai, R.Y.; McDaniel, E.W.; Viehland, L.A.; Mason, E.A., Test of the Li+-He interaction potential, J. Chem. Phys., 1975, 63, 2238. [all data]


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