Lithium monoxide
- Formula: LiO
- Molecular weight: 22.940
- IUPAC Standard InChI: InChI=1S/Li.O
- IUPAC Standard InChIKey: QTJOIXXDCCFVFV-UHFFFAOYSA-N
- CAS Registry Number: 12142-77-7
- Chemical structure:
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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
| Symbol | Meaning |
|---|---|
| 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) |
| State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| A 2Σ+ | (2330) 1 | (866.7) 1 | (6.7) 1 | (1.349) 1 | (0.0199) 1 | (1.599) 1 | ||||||
| X 2Πi | 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 | ||||||||||||
Notes
| 1 | CI calculation of Yoshimine, 1972; see also Marchetti, Julienne, et al., 1972. |
| 2 | A0 = -112.0, A1 = -108; from the radio frequency spectrum Freund, Herbst, et al., 1972. The 2Π symmetry of the ground state was originally established by molecular beam electric deflection Berg, Wharton, et al., 1965. |
| 3 | The fundamental frequencies in krypton White, Seshadri, et al., 1963 and nitrogen Spiker and Andrews, 1973 matrices are 745 and 700 cm-1, respectively. |
| 4 | IR spectrum 8 |
| 5 | μel(v=0) = 6.84 D. The hfs parameters have been reevaluated by Veseth, 1976. |
| 6 | Thermochemica1 value [mass-spectrometric Berkowitz, Chupka, et al., 1959, White, Seshadri, et al., 1963, Hildenbrand, 1972; flame photometry Dougherty, Dunn, et al., 1971]. |
| 7 | In inert gas matrices. |
| 8 | missing note |
References
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 X2Π state of 7Li16O,
J. Chem. Phys., 1972, 56, 1467. [all data]
Yoshimine, 1972
Yoshimine, M.,
Accurate potential curves and properties for the X2Π and A2Σ+ 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 (cα),
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]
Notes
Go To: Top, Constants of diatomic molecules, References
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