sodium fluoride

Formula: FNa
Molecular weight: 41.9881725
IUPAC Standard InChI: InChI=1S/FH.Na/h1H;/q;+1/p-1
IUPAC Standard InChIKey: PUZPDOWCWNUUKD-UHFFFAOYSA-M
CAS Registry Number: 7681-49-4
Chemical structure:
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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 ²³Na¹⁹F
State	T_e	ω_e	ω_ex_e	B_e	α_e	γ_e	D_e	r_e	Trans.
The electron energy loss spectrum has peaks at 5.7, 7.7, (18.5), 32.5 eV.
↳Geiger and Pfeiffer, 1968
Continuous absorption above 41000 cm^-1.
↳Muller, 1927
A 1									A ← X
A 1	↳Barrow and Caunt, 1953
X ¹Σ⁺	0	536 2 3 (Z)	3.4 2	0.4369012₇	0.0045586₉	2.335E-5	1.16₁E-6	1.92594₇ 4
	↳Ritchie and Lew, 1964; Baikov and Vasilevskii, 1967
	Rotation sp.
	↳Bauer and Lew, 1963; Hollowell, Hebert, et al., 1964; Veazey and Gordy, 1965
	Mol. beam rf electric 5
	↳Hollowell, Hebert, et al., 1964; Graff and Werth, 1965
	and magnetic reson.
	↳Zeiger and Bolef, 1952; Logan, Cote, et al., 1952; Cote and Kusch, 1953

Notes

Fluxuation bands in absorption from 39350 to 36600 cm^-1.

From the IR spectrum Ritchie and Lew, 1964, Baikov and Vasilevskii, 1967.

For IR frequencies in low-temperature rare gas matrices, see Snelson and Pitzer, 1963.

Rot.-vibr. sp. 3

μ_el[D] = 8.123₅ + 0.0644(v+1/2) + 0.0003₇(v+1/2)², v≤2 Hollowell, Hebert, et al., 1964, Graff and Werth, 1965; see also Bauer and Lew, 1963. Na quadrupole coupling constant, dependence on v Bauer and Lew, 1963, Hollowell, Hebert, et al., 1964, Graff and Werth, 1965; earlier, less accurate values by the magnetic resonance method Zeiger and Bolef, 1952, Logan, Cote, et al., 1952, Cote and Kusch, 1953.

Value recommended by Ham, 1974 and based on the highest Na levels observed in chemiluminescent emission from the reaction Na₂ + F > NaF + Na*. It is in agreement with the flame-photometric value (5.2₅ eV) of Bulewicz, Phillips, et al., 1961, but substantially higher than the thermochemical value (4.9₃ eV) given by Brewer and Brackett, 1961 or derived from the data in Stull and Prophet, 1971.

References

Go To: Top, Constants of diatomic molecules, Notes

Geiger and Pfeiffer, 1968
Geiger, J.; Pfeiffer, H.-C., Untersuchung der Anregung innerer Elektronen von Alkalihalogenidmolekulen im Energieverlustspektrum von 25 keV-Elektronen, Z. Phys., 1968, 208, 105. [all data]

Muller, 1927
Muller, L.A., 4. absorptionsspektren der alkalihalogenide in wasseriger losung und im dampf, Ann. Phys. (Leipzig), 1927, 82, 39. [all data]

Barrow and Caunt, 1953
Barrow, R.F.; Caunt, A.D., The ultra-violet absorption spectra of some gaseous alkali-metal halides and the dissociation energy of fluorine, Proc. R. Soc. London A, 1953, 219, 120. [all data]

Ritchie and Lew, 1964
Ritchie, R.K.; Lew, H., Infrared spectra of NaF and KF, Can. J. Phys., 1964, 42, 43. [all data]

Baikov and Vasilevskii, 1967
Baikov, V.I.; Vasilevskii, K.P., Infrared spectra of sodium, potassium, rubidium, and cesium fluoride vapors, Opt. Spectrosc. Engl. Transl., 1967, 22, 198, In original 364. [all data]

Bauer and Lew, 1963
Bauer, R.K.; Lew, H., Rotational constants and electric dipole moment of NaF, Can. J. Phys., 1963, 41, 1461. [all data]

Hollowell, Hebert, et al., 1964
Hollowell, C.D.; Hebert, A.J.; Street, K., Jr., Radio-frequency and microwave spectra of NaF by the molecular-beam electric-resonance method, J. Chem. Phys., 1964, 41, 3540. [all data]

Veazey and Gordy, 1965
Veazey, S.E.; Gordy, W., Millimeter-wave molecular-beam spectroscopy: alkali fluorides, Phys. Rev. A: Gen. Phys., 1965, 138, 1303. [all data]

Graff and Werth, 1965
Graff, G.; Werth, G., Gleichzeitige Messung von Hyperfeinstruktur, Starkeffekt und Zeemaneffekt des ²³Na¹⁹F mit einer Molekulstrahl-Resonanzapparatur, Z. Phys., 1965, 183, 223. [all data]

Zeiger and Bolef, 1952
Zeiger, H.J.; Bolef, D.I., Molecular beam magnetic resonance spectra of TlCl³⁵ and TlCl³⁷ at zero field, Phys. Rev., 1952, 85, 788. [all data]

Logan, Cote, et al., 1952
Logan, R.A.; Cote, R.E.; Kusch, P., The sign of the quadrupole interaction energy in diatomic molecules, Phys. Rev., 1952, 86, 280. [all data]

Cote and Kusch, 1953
Cote, R.E.; Kusch, P., Low frequency resonances in the spectra of diatomic molecules, Phys. Rev., 1953, 90, 103. [all data]

Snelson and Pitzer, 1963
Snelson, A.; Pitzer, K.S., Infrared spectra by matrix isolation of lithium fluoride, lithium chloride and sodium fluoride, J. Phys. Chem., 1963, 67, 882. [all data]

Ham, 1974
Ham, D.O., Energy limits in chemiluminescent, atom transfer reactions: bond dissociation energy of NaF, J. Chem. Phys., 1974, 60, 1802. [all data]

Bulewicz, Phillips, et al., 1961
Bulewicz, E.M.; Phillips, L.F.; Sugden, T.M., Determination of dissociation constants and heats of formation of simple molecules by flame photometry. Part 8. Stabilities of the gaseous diatomic halides of certain metals, Trans. Faraday Soc., 1961, 57, 921. [all data]

Brewer and Brackett, 1961
Brewer, L.; Brackett, E., The dissociation energies of gaseous alkali halides, Chem. Rev., 1961, 61, 425. [all data]

Stull and Prophet, 1971
Stull, D.R.; Prophet, H., JANAF Thermochemical Tables. Second Edition, Office of SRD (NSRDS-NBS 37), Washington, D.C., 1971, 0. [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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