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:
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Other names: Monosodium monoxide
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Constants of diatomic molecules

Data compiled by: Klaus P. Huber and Gerhard H. Herzberg

Data collected through March, 1977

Symbols used in the table of constants
Symbol	Meaning
State	electronic state and / or symmetry symbol
T_e	minimum electronic energy (cm^-1)
ω_e	vibrational constant – first term (cm^-1)
ω_ex_e	vibrational constant – second term (cm^-1)
ω_ey_e	vibrational constant – third term (cm^-1)
B_e	rotational constant in equilibrium position (cm^-1)
α_e	rotational constant – first term (cm^-1)
γ_e	rotation-vibration interaction constant (cm^-1)
D_e	centrifugal distortion constant (cm^-1)
β_e	rotational constant – first term, centrifugal force (cm^-1)
r_e	internuclear distance (Å)
Trans.	observed transition(s) corresponding to electronic state
ν₀₀	position of 0-0 band (units noted in table)

Diatomic constants for ²³Na¹⁶O
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	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

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.

Thermochemical value [mass-spectrometry Hildenbrand and Murad, 1970, calorimetry O'Hare, 1972).

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

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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]

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, 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

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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