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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Gas phase ion energetics data
Go To: Top, 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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess
Electron affinity determinations
| EA (eV) | Method | Reference | Comment |
|---|---|---|---|
| 0.520 ± 0.010 | LPES | Miller, Leopold, et al., 1986 | B |
| 1.10 ± 0.20 | LPES | Miller and Lineberger, 1990 | Vertical Detachment Energy: 1.5±0.1 eV; B |
| 0.41998 | NBAE | De Vreugd, Wijnaendts van Resandt, et al., 1979 | B |
| 1.12 ± 0.21 | EIAE | Shevchenko, Iljin, et al., 1976 | From Na2BO2F; B |
| >1.34997 | EIAE | Ebinghaus, 1964 | From (NaF)2; B |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| Na+ | 9.98 ± 0.15 | F | EI | Shevchenko, Iljin, et al., 1976 | LLK |
| Na+ | 9.9 ± 0.2 | F | EI | Hastie, Zmbov, et al., 1968 | RDSH |
| Na+ | ~12. | F | EI | Porter and Schoonmaker, 1958 | RDSH |
Constants of diatomic molecules
Go To: Top, 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 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 | |||||||||||
| ↳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
| 1 | Fluxuation bands in absorption from 39350 to 36600 cm-1. |
| 2 | From the IR spectrum Ritchie and Lew, 1964, Baikov and Vasilevskii, 1967. |
| 3 | For IR frequencies in low-temperature rare gas matrices, see Snelson and Pitzer, 1963. |
| 4 | Rot.-vibr. sp. 3 |
| 5 | μel[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. |
| 6 | 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, 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.
Miller, Leopold, et al., 1986
Miller, T.M.; Leopold, D.G.; Murray, K.K.; Lineberger, W.C.,
Electron Affinities of the Alkali Halides and the Structure of their Negative Ions,
J. Chem. Phys., 1986, 85, 5, 2368, https://doi.org/10.1063/1.451091
. [all data]
Miller and Lineberger, 1990
Miller, T.M.; Lineberger, W.C.,
Mass Spectra and Photodetachment of Sodium Fluoride Negative Ion Clusters,
Int. J. Mass Spectrom. Ion Proc., 1990, 102, 239, https://doi.org/10.1016/0168-1176(90)80063-9
. [all data]
De Vreugd, Wijnaendts van Resandt, et al., 1979
De Vreugd, C.; Wijnaendts van Resandt, R.W.; Los, J.; Smith, B.,
Differential Cross Sections for Collisions of Negative Halogen Ions and Alkali Atoms,
Chem. Phys., 1979, 42, 3, 305, https://doi.org/10.1016/0301-0104(79)80078-6
. [all data]
Shevchenko, Iljin, et al., 1976
Shevchenko, V.E.; Iljin, M.K.; Nikitin, O.T.; Sidorov, L.N.,
Mass-spectrometric study of mixed dimers M2BO2F,
Int. J. Mass Spectrom. Ion Phys., 1976, 21, 279. [all data]
Ebinghaus, 1964
Ebinghaus, H.Z.,
Negative Ionen aus Alkalihalogeniden und Electronenaffinitaten der Alkalimetalle und Alkalihalogenide,
Z. Naturfor., 1964, 19A, 727. [all data]
Hastie, Zmbov, et al., 1968
Hastie, J.W.; Zmbov, K.F.; Margrave, J.L.,
Mass spectrometric studies at high temperatures. XXIII. Vapor equilibria over molten NaSnF3 and KSnF3,
J. Inorg. Nucl. Chem., 1968, 30, 729. [all data]
Porter and Schoonmaker, 1958
Porter, R.F.; Schoonmaker, R.C.,
Mass spectrometric study of the vaporization of LiF, NaF, and LiF-NaF mixtures,
J. Chem. Phys., 1958, 29, 1070. [all data]
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
Go To: Top, Gas phase ion energetics data, Constants of diatomic molecules, References
- Symbols used in this document:
AE Appearance energy EA Electron affinity - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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