sodium oxide
- Formula: NaO
- Molecular weight: 38.9892
- IUPAC Standard InChI: InChI=1S/Na.O
- IUPAC Standard InChIKey: IVAOQJNBYYIDSI-UHFFFAOYSA-N
- CAS Registry Number: 12401-86-4
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Monosodium monoxide
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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 | 20.00 | kcal/mol | Review | Chase, 1998 | Data last reviewed in December, 1967 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 54.763 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in December, 1967 |
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 | 8.887211 |
| B | 0.246751 |
| C | -0.012721 |
| D | 0.001085 |
| E | -0.050559 |
| F | 17.16990 |
| G | 65.15980 |
| H | 20.00000 |
| Reference | Chase, 1998 |
| Comment | Data last reviewed in December, 1967 |
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
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 7.41 | S | Butman, Kudin, et al., 1984 | LBLHLM |
| 6.5 ± 0.7 | EI | Hildenbrand and Murad, 1970 | 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 March, 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) | (1500) 1 | (548) 1 | (0.470) 1 | (1.95) 1 | ||||||||
| X (2Π) | 0 1 | (526) 1 | (0.425) 1 | (2.05) 1 |
Notes
| 1 | Theoretical results, average of two calculations O'Hare and Wahl, 1972, So and Richards, 1975. The relative term values of the two states are in qualitative agreement with deductions made from a magnetic deflection analysis of the reactive scattering of Na+NO2, see Herm and Herschbach, 1970. |
| 2 | Thermochemical value [mass-spectrometry Hildenbrand and Murad, 1970, calorimetry O'Hare, 1972). |
| 3 | From a merging-beam study of the reaction CO+(Na,C)NaO+ Rol, Entemann, et al., 1974. See also O'Hare and Wahl, 1972. |
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]
Hildenbrand and Murad, 1970
Hildenbrand, D.L.; Murad, E.,
Dissociation energy of NaO(g) and the heat of atomization of Na2O(g),
J. Chem. Phys., 1970, 53, 3403. [all data]
O'Hare and Wahl, 1972
O'Hare, P.A.G.; Wahl, A.C.,
Thermochemical and theoretical investigations of the sodium-oxygen system. II. Properties of NaO and its ions from Hartree-Fock molecular orbital studies,
J. Chem. Phys., 1972, 56, 4516. [all data]
So and Richards, 1975
So, S.P.; Richards, W.G.,
The electronic ground states of alkali monoxides,
Chem. Phys. Lett., 1975, 32, 227. [all data]
Herm and Herschbach, 1970
Herm, R.R.; Herschbach, D.R.,
Molecular beam kinetics: reactions of alkali atoms with NO2 and CH3NO2,
J. Chem. Phys., 1970, 52, 5783. [all data]
O'Hare, 1972
O'Hare, P.A.G.,
Thermochemical and theoretical investigations of the sodium-oxygen system. I. The standard enthalpy of formation of sodium oxide (Na2O),
J. Chem. Phys., 1972, 56, 4513. [all data]
Rol, Entemann, et al., 1974
Rol, P.K.; Entemann, E.A.; Wendell, K.L.,
Merging beams studies of Na, K, and Mg collisions with atmospheric ions,
J. Chem. Phys., 1974, 61, 2050. [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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