Lithium fluoride
- Formula: FLi
- Molecular weight: 25.939
- IUPAC Standard InChI: InChI=1S/FH.Li/h1H;/q;+1/p-1
- IUPAC Standard InChIKey: PQXKHYXIUOZZFA-UHFFFAOYSA-M
- CAS Registry Number: 7789-24-4
- 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 | -81.451 | kcal/mol | Review | Chase, 1998 | Data last reviewed in December, 1968 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 47.851 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in December, 1968 |
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) | 3000. to 6000. |
|---|---|
| A | 8.386310 |
| B | 0.599110 |
| C | -0.123634 |
| D | 0.010457 |
| E | -0.102129 |
| F | -84.31831 |
| G | 57.25229 |
| H | -81.45010 |
| Reference | Chase, 1998 |
| Comment | Data last reviewed in December, 1968 |
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:
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
LL - Sharon G. Lias and Joel F. Liebman
B - John E. Bartmess
View reactions leading to FLi+ (ion structure unspecified)
Electron affinity determinations
| EA (eV) | Method | Reference | Comment |
|---|---|---|---|
| >1.34997 | EIAE | Ebinghaus, 1964 | From (LiF)2; G3MP2B3 calculations indicate an EA of ca.0.5 eV; B |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 11.3 | EI | Berkowitz, Tasman, et al., 1962 | RDSH |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| Li+ | 11.40 | F | EI | Veljkovic, Neskovic, et al., 1993 | LL |
| Li+ | 11.5 | F | EI | Berkowitz, Tasman, et al., 1962 | RDSH |
| Li+ | ~12. | F | EI | Porter and Schoonmaker, 1958 | 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| K 3pπ 2Π | 510700 | 1420 1 | K ← X | 510900 | ||||||||
| ↳Radler, Sonntag, et al., 1976 | ||||||||||||
| J 3σ 2Σ | 502200 | 1400 1 | J ← X | 502500 | ||||||||
| ↳Radler, Sonntag, et al., 1976 | ||||||||||||
| I 2pπ 2Π | 477500 | 1240 1 | I ← X | 477600 | ||||||||
| ↳Radler, Sonntag, et al., 1976 | ||||||||||||
| H 2σ 2Σ | 458600 | (1000) 1 | H ← X | 458600 | ||||||||
| ↳Radler, Sonntag, et al., 1976 | ||||||||||||
| Peaks in the electron energy loss spectrum at 6.6, 8.7, 10.9, 62.0 eV. | ||||||||||||
| ↳Geiger and Pfeiffer, 1968 | ||||||||||||
| Ab initio studies of the lowest 1Σ states (including the ground state), curve crossings Kahn and Hay, 1974 Botter, Kooter, et al., 1975 Yardley and Balint-Kurti, 1976. | ||||||||||||
| State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
| X 1Σ+ | 0 | 910.34 2 Z | 7.929 2 | 1.3452576 | 0.0202868 3 | 1.1754E-5 | -0.0124E-5 | 1.563864 4 | ||||
| ↳Klemperer, Norris, et al., 1960; Vidale, 1960; Vasilevskii and Baikov, 1961 | ||||||||||||
| Rotation sp. | ||||||||||||
| ↳Wharton, Klemperer, et al., 1963; Veazey and Gordy, 1965; Pearson and Gordy, 1969; Cupp, Smith, et al., 1973 | ||||||||||||
| Mol. beam rf electric reson. 5 | ||||||||||||
| ↳Wharton, Klemperer, et al., 1963; Hebert, Lovas, et al., 1968; Mariella, Herschbach, et al., 1973; Hebert and Hollowell, 1976 | ||||||||||||
| Mol. beam magn. reson. 6 | ||||||||||||
| ↳Mehran, Brooks, et al., 1966 | ||||||||||||
Notes
| 1 | First members of two Rydberg series converging to the Li is ionization limit of LiF at 65.5 eV (528300 cm-1); vibrational numbering not established. |
| 2 | From the infrared spectrum [constants corresponding to the J numbering "Morig - 2" in table III of Vidale, 1960]. In good agreement with constants calculated from the microwave results: we = 910.25, wexe = 8.10. |
| 3 | +0.0001558(v+1/2)2 - 3.5E-7(v+1/2)3. |
| 4 | Rotation-vibr. Sp. 8 |
| 5 | Dipole moment of 7LiF: μel[D] = 6.2839 + 0.08153(v+1/2) + 0.000445(v+1/2)2,v = 0,1,2 Hebert and Hollowell, 1976; see also Wharton, Klemperer, et al., 1963, Hebert, Lovas, et al., 1968, Mariella, Herschbach, et al., 1973. For electric quadrupole and other hyperfine coupling constants see Cupp, Smith, et al., 1973, Hebert and Hollowell, 1976. Earlier electric resonance work in Swartz and Trischka, 1952, Braunstein and Trischka, 1955, Kastner, Russell, et al., 1955, Moran and Trischka, 1961 and Russell, 1958 who found gJ(7LiF)= +0.0642 μN from the Zeeman splitting of the hyperfine structure; see also 6. |
| 6 | gJ(7LiF) = (+)0.0737 μN by the magnetic resonance method Mehran, Brooks, et al., 1966; see also Russell, 1958. Li NMR spectrum Kusch, 1949, Kusch, 1959. |
| 7 | Thermochemical value Pugh and Barrow, 1958, Brewer and Brackett, 1961, Bulewicz, Phillips, et al., 1961, Hildenbrand, Hall, et al., 1964. |
| 8 | For IR frequencies in inert gas matrices see Linevsky, 1961, Snelson and Pitzer, 1963, Schlick and Schnepp, 1964, Snelson, 1967. The lifetime of the lowest vibrationally excited level of 6LiF. τ(v=1) = 14.3 ms, was determined by Bedding and Moran, 1974 using the molecular beam electric resonance method. |
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]
Ebinghaus, 1964
Ebinghaus, H.Z.,
Negative Ionen aus Alkalihalogeniden und Electronenaffinitaten der Alkalimetalle und Alkalihalogenide,
Z. Naturfor., 1964, 19A, 727. [all data]
Berkowitz, Tasman, et al., 1962
Berkowitz, J.; Tasman, H.A.; Chupka, W.A.,
Double-oven experiments with lithium halide vapors,
J. Chem. Phys., 1962, 36, 2170. [all data]
Veljkovic, Neskovic, et al., 1993
Veljkovic, M.V.; Neskovic, O.M.; Miletic, M.B.; Zmbov, K.F.,
Mass spectrometric study of ionization and fragmentation of lithium fluoride vapor by electron impact,
J. Serb. Chem. Soc., 1993, 58, 101. [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]
Radler, Sonntag, et al., 1976
Radler, K.; Sonntag, B.; Chang, T.C.; Schwarz, W.H.E.,
Experimental and theoretical investigation of the Li 1s spectra of molecular lithium halides,
Chem. Phys., 1976, 13, 363. [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]
Kahn and Hay, 1974
Kahn, L.R.; Hay, P.J.,
Theoretical study of curve crossing: ab initio calculations on the four lowest 1Σ+ states of LiF,
J. Chem. Phys., 1974, 61, 3530. [all data]
Botter, Kooter, et al., 1975
Botter, B.J.; Kooter, J.A.; Mulder, J.J.C.,
Ab-initio calculations of the covalent-ionic curve crossing in LiF,
Chem. Phys. Lett., 1975, 33, 532. [all data]
Yardley and Balint-Kurti, 1976
Yardley, R.N.; Balint-Kurti, G.G.,
Ab initio valence-bond calculations on HF, LiH, LiH+ and LiF,
Mol. Phys., 1976, 31, 921. [all data]
Klemperer, Norris, et al., 1960
Klemperer, W.; Norris, W.G.; Buchler, A.; Emslie, A.G.,
Infrared spectra of lithium halide monomers,
J. Chem. Phys., 1960, 33, 1534. [all data]
Vidale, 1960
Vidale, G.L.,
The infrared spectrum of the gaseous lithium fluoride (LiF) molecule,
J. Phys. Chem., 1960, 64, 314. [all data]
Vasilevskii and Baikov, 1961
Vasilevskii, K.P.; Baikov, V.I.,
The infrared spectrum of lithium vapor,
Opt. Spectrosc. Engl. Transl., 1961, 11, 21, In original 41. [all data]
Wharton, Klemperer, et al., 1963
Wharton, L.; Klemperer, W.; Gold, L.P.; Strauch, R.; Gallagher, J.J.; Derr, V.E.,
Microwave spectrum, spectroscopic constants, and electric dipole moment of Li6F19,
J. Chem. Phys., 1963, 38, 1203. [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]
Pearson and Gordy, 1969
Pearson, E.F.; Gordy, W.,
Millimeter- and submillimeter-wave spectra and molecular constants of LiF and LiCl,
Phys. Rev., 1969, 177, 52. [all data]
Cupp, Smith, et al., 1973
Cupp, R.E.; Smith, W.T.; Contini, D.A.; Woods, D.; Gallagher, J.J.,
Partial resolution of 6Li19F rotational transition,
Phys. Lett. A, 1973, 44, 305. [all data]
Hebert, Lovas, et al., 1968
Hebert, A.J.; Lovas, F.J.; Melendres, C.A.; Hollowell, C.D.; Story, T.L., Jr.; Street, K., Jr.,
Dipole moments of some alkali halide molecules by the molecular beam electric resonance method,
J. Chem. Phys., 1968, 48, 2824. [all data]
Mariella, Herschbach, et al., 1973
Mariella, R.P., Jr.; Herschbach, D.R.; Klemperer, W.,
Molecular beam electric resonance spectra of reaction products: vibrational energy of LiF from Li+SF6,
J. Chem. Phys., 1973, 58, 3785. [all data]
Hebert and Hollowell, 1976
Hebert, A.J.; Hollowell, C.D.,
The radiofrequency spectra of LiF by the molecular beam electric resonance method,
J. Chem. Phys., 1976, 65, 4327. [all data]
Mehran, Brooks, et al., 1966
Mehran, F.; Brooks, R.A.; Ramsey, N.F.,
Rotational magnetic moments of alkali-halide molecules,
Phys. Rev., 1966, 141, 93. [all data]
Swartz and Trischka, 1952
Swartz, J.C.; Trischka, J.W.,
Radiofrequency spectra of Li6F19 by the molecular beam electric resonance method,
Phys. Rev., 1952, 88, 1085. [all data]
Braunstein and Trischka, 1955
Braunstein, R.; Trischka, J.W.,
Molecular constants and nuclear-molecular interactions of Li7F19 by the molecular beam electric resonance method,
Phys. Rev., 1955, 98, 1092. [all data]
Kastner, Russell, et al., 1955
Kastner, S.O.; Russell, A.M.; Trischka, J.W.,
Variation with vibration of the fluorine spin-rotation interaction in Li6F,
J. Chem. Phys., 1955, 23, 1730. [all data]
Moran and Trischka, 1961
Moran, T.I.; Trischka, J.W.,
New determinations of the vibrational constants of Li-Li6F and Li6Cl35 by the molecular beam electric resonance method,
J. Chem. Phys., 1961, 34, 923. [all data]
Russell, 1958
Russell, A.M.,
Magnetic moments due to rotation in Li6F and Li7F,
Phys. Rev., 1958, 111, 1558. [all data]
Kusch, 1949
Kusch, P.,
On the nuclear electric quadrupole moment of Li6,
Phys. Rev., 1949, 75, 887. [all data]
Kusch, 1959
Kusch, P.,
Nuclear reorientation spectrum of Li7 in the gaseous monomers and dimers of the lithium halides,
J. Chem. Phys., 1959, 30, 52. [all data]
Pugh and Barrow, 1958
Pugh, A.C.P.; Barrow, R.F.,
The heats of sublimation of inorganic substances. Part 5. The alkali metal fluorides,
Trans. Faraday Soc., 1958, 54, 671. [all data]
Brewer and Brackett, 1961
Brewer, L.; Brackett, E.,
The dissociation energies of gaseous alkali halides,
Chem. Rev., 1961, 61, 425. [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]
Hildenbrand, Hall, et al., 1964
Hildenbrand, D.L.; Hall, W.F.; Ju, F.; Potter, N.D.,
Vapor pressures and vapor thermodynamic properties of some lithium and magnesium halides,
J. Chem. Phys., 1964, 40, 2882. [all data]
Linevsky, 1961
Linevsky, M.J.,
Infrared spectrum of lithium fluoride monomer by matrix isolation,
J. Chem. Phys., 1961, 34, 587. [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]
Schlick and Schnepp, 1964
Schlick, S.; Schnepp, O.,
Infrared spectra of the lithium halide monomers and dimers in inert matrices at low temperature,
J. Chem. Phys., 1964, 41, 463. [all data]
Snelson, 1967
Snelson, A.,
Infrared spectrum of LiF, Li2F2, and Li3F3 by matrix isolation,
J. Chem. Phys., 1967, 46, 3652. [all data]
Bedding and Moran, 1974
Bedding, D.R.; Moran, T.I.,
Vibrational-state lifetime of 6LiF,
Phys. Rev. A: Gen. Phys., 1974, 9, 2324. [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:
AE Appearance energy EA Electron affinity 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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