Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

Lithium monoxide

Constants of diatomic molecules

Go To: Top, References, Notes

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 7Li16O
A 2Sigma+ (2330) 1 (866.7) 1 (6.7) 1  (1.349) 1 (0.0199) 1    (1.599) 1  
X 2Pii 0 2 (851.5) 1 3 (12.5) 1  (1.202) 1 (0.0151) 1    (1.695) 1 4  
White, Seshadri, et al., 1963; Spiker and Andrews, 1973
Mol. beam rf el. Reson. 5
Freund, Herbst, et al., 1972


1CI calculation of Yoshimine, 1972; see also Marchetti, Julienne, et al., 1972.
2A0 = -112.0, A1 = -108; from the radio frequency spectrum Freund, Herbst, et al., 1972. The 2Pi symmetry of the ground state was originally established by molecular beam electric deflection Berg, Wharton, et al., 1965.
3The fundamental frequencies in krypton White, Seshadri, et al., 1963 and nitrogen Spiker and Andrews, 1973 matrices are 745 and 700 cm-1, respectively.
4IR spectrum 8
5muel(v=0) = 6.84 D. The hfs parameters have been reevaluated by Veseth, 1976.
6Thermochemica1 value [mass-spectrometric Berkowitz, Chupka, et al., 1959, White, Seshadri, et al., 1963, Hildenbrand, 1972; flame photometry Dougherty, Dunn, et al., 1971].
7In inert gas matrices.
8missing note


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.

White, Seshadri, et al., 1963
White, D.; Seshadri, K.S.; Dever, D.F.; Mann, D.E.; Linevski, M.J., Infrared spectra and the structures and thermodynamics of gaseous LiO, Li2O, and Li2O2, J. Chem. Phys., 1963, 39, 2463. [all data]

Spiker and Andrews, 1973
Spiker, R.C., Jr.; Andrews, L., Matrix reactions of lithium atoms with N2O: Infrared spectra of LiO and Li2O, J. Chem. Phys., 1973, 58, 2, 702, https://doi.org/10.1063/1.1679257 . [all data]

Freund, Herbst, et al., 1972
Freund, S.M.; Herbst, E.; Mariella, R.P., Jr.; Klemperer, W., Radio frequency spectrum of the X2«PI» state of 7Li16O, J. Chem. Phys., 1972, 56, 1467. [all data]

Yoshimine, 1972
Yoshimine, M., Accurate potential curves and properties for the X2«PI» and A2«SIGMA»+ states of LiO, J. Chem. Phys., 1972, 57, 1108. [all data]

Marchetti, Julienne, et al., 1972
Marchetti, M.; Julienne, P.S.; Krauss, M., Vibrational and electronic oscillator strengths of LiO, J. Res. Nat. Bur. Stand. Sect. A, 1972, 76, 665. [all data]

Berg, Wharton, et al., 1965
Berg, R.A.; Wharton, L.; Klemperer, W.; Buchler, A.; Stauffer, J.L., Determination of electronic symmetry by electric deflection: LiO and LaO, J. Chem. Phys., 1965, 43, 2416. [all data]

Veseth, 1976
Veseth, L., The hyperfine structure of diatomic molecules: Hund's case (c«alpha»), J. Mol. Spectrosc., 1976, 59, 51. [all data]

Berkowitz, Chupka, et al., 1959
Berkowitz, J.; Chupka, W.A.; Blue, G.D.; Margrave, J.L., Mass spectrometric study of the sublimation of lithium oxide, J. Phys. Chem., 1959, 63, 644. [all data]

Hildenbrand, 1972
Hildenbrand, D.L., Thermochemistry of the molecular species LiO, LiO+, and Li2O+., J. Chem. Phys., 1972, 57, 4556. [all data]

Dougherty, Dunn, et al., 1971
Dougherty, G.J.; Dunn, M.R.; McEwan, M.J.; Phillips, L.F., LiO formation in dry carbon monoxide flames, Chem. Phys. Lett., 1971, 11, 124. [all data]


Go To: Top, Constants of diatomic molecules, References