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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Gas phase thermochemistry data
Go To: Top, Gas phase ion energetics data, Constants of diatomic molecules, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | 20.10 | kcal/mol | Review | Chase, 1998 | Data last reviewed in March, 1964 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 50.411 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in March, 1964 |
Gas Phase Heat Capacity (Shomate Equation)
Cp° = A + B*t + C*t2 + D*t3 +
E/t2
H° − H°298.15= A*t + B*t2/2 +
C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 −
E/(2*t2) + G
Cp = heat capacity (cal/mol*K)
H° = standard enthalpy (kcal/mol)
S° = standard entropy (cal/mol*K)
t = temperature (K) / 1000.
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| Temperature (K) | 298. to 6000. |
|---|---|
| A | 8.628650 |
| B | 0.402774 |
| C | -0.070948 |
| D | 0.006024 |
| E | -0.092734 |
| F | 17.19920 |
| G | 60.21460 |
| H | 20.09990 |
| Reference | Chase, 1998 |
| Comment | Data last reviewed in March, 1964 |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Constants of diatomic molecules, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.44 | S | Butman, Kudin, et al., 1984 | LBLHLM |
| 9.0 ± 0.2 | EI | Nakagawa, Asano, et al., 1981 | LLK |
| 8.45 ± 0.20 | EI | Hildenbrand, 1972 | LLK |
| 8.6 ± 1.0 | EI | Yamdagni, Pupp, et al., 1970 | RDSH |
| 9.0 ± 0.5 | EI | Zmbov, Ficalora, et al., 1968 | RDSH |
Constants of diatomic molecules
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, 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, Gas phase thermochemistry data, Gas phase ion energetics data, 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.
Chase, 1998
Chase, M.W., Jr.,
NIST-JANAF Themochemical Tables, Fourth Edition,
J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]
Butman, Kudin, et al., 1984
Butman, M.F.; Kudin, L.S.; Krasnov, K.S.,
The Mass-spectrometric determination of the proton affinity of the molecules M2O (M = Na, K, Rb, Cs),
Russ. J. Inorg. Chem., 1984, 29, 1228, In original 2150. [all data]
Nakagawa, Asano, et al., 1981
Nakagawa, H.; Asano, M.; Kubo, K.,
Mass spectrometric study of the vaporization of lithium metasilicate,
J. Nucl. Mater., 1981, 102, 292. [all data]
Hildenbrand, 1972
Hildenbrand, D.L.,
Thermochemistry of the molecular species LiO, LiO+, and Li2O+.,
J. Chem. Phys., 1972, 57, 4556. [all data]
Yamdagni, Pupp, et al., 1970
Yamdagni, R.; Pupp, C.; Porter, R.F.,
Mass spectrometric study of the evaporation of lithium and sodium molybdates and tungstates,
J. Inorg. Nucl. Chem., 1970, 32, 3509. [all data]
Zmbov, Ficalora, et al., 1968
Zmbov, K.F.; Ficalora, P.; Margrave, J.L.,
Mass spectrometric studies at high temperatures. XXVIII. Gaseous ternary oxides, LiMO and LiMO2,
J. Inorg. Nucl. Chem., 1968, 30, 2059. [all data]
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]
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, Gas phase thermochemistry data, Gas phase ion energetics data, Constants of diatomic molecules, References
- Symbols used in this document:
S°gas,1 bar Entropy of gas at standard conditions (1 bar) ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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