fluorine

• Formula: F₂
• Molecular weight: 37.9968064
• IUPAC Standard InChI: InChI=1S/F2/c1-2 Copy

  
• IUPAC Standard InChIKey: PXGOKWXKJXAPGV-UHFFFAOYSA-N Copy
• CAS Registry Number: 7782-41-4
• 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.
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• Information on this page:
  • Gas phase thermochemistry data
  • Gas phase ion energetics data
  • Constants of diatomic molecules
  • References
  • Notes
• Other data available:
  • Phase change data
  • Reaction thermochemistry data
  • Ion clustering data
  • Fluid Properties
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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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.

Gas Phase Heat Capacity (Shomate Equation)

C_p° = 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
    C_p = heat capacity (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

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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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

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
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
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 F₂⁺ (ion structure unspecified)

Electron affinity determinations

Ionization energy determinations

Appearance energy determinations

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 July, 1976

Notes

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.

Cox, Wagman, et al., 1984
Cox, J.D.; Wagman, D.D.; Medvedev, V.A., CODATA Key Values for Thermodynamics, Hemisphere Publishing Corp., New York, 1984, 1. [all data]

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Wenthold and Squires, 1995
Wenthold, P.G.; Squires, R.R., Bond dissociation energies of F2(-) and HF2(-). A gas-phase experimental and G2 theoretical study, J. Phys. Chem., 1995, 99, 7, 2002, https://doi.org/10.1021/j100007a034 . [all data]

Artau, Nizzi, et al., 2000
Artau, A.; Nizzi, K.E.; Hill, B.T.; Sunderlin, L.S.; Wenthold, P.G., Bond dissociation energy in trifluoride ion, J. Am. Chem. Soc., 2000, 122, 43, 10667-10670, https://doi.org/10.1021/ja001613e . [all data]

Ayala, Wentworth, et al., 1981
Ayala, J.A.; Wentworth, W.E.; Chen, E.C.M., Electron attachment to halogens, J. Phys. Chem., 1981, 85, 768. [all data]

Harland and Franklin, 1974
Harland, P.W.; Franklin, J.L., Partitioning of excess energy in dissociative resonance capture processes, J. Chem. Phys., 1974, 61, 1621. [all data]

DeCorpo and Franklin, 1971
DeCorpo, J.J.; Franklin, J.L., Electron affinities of the halogen molecules by dissociative electron attachment, J. Chem. Phys., 1971, 54, 1885. [all data]

Wang and Franklin, 1980
Wang, J.-S.; Franklin, J.L., Reactions and energy distributions in dissociative electron capture processes in sulfuryl halides, Int. J. Mass Spectrom. Ion Phys., 1980, 36, 233. [all data]

Thynne, 1972
Thynne, J.C.J., Negative Ion Studies with a Time-of-Flight Mass Spectrometer., Dyn. Mass Spectrom., 1972, 3, 67. [all data]

Chupka, Berkowitz, et al., 1971
Chupka, W.A.; Berkowitz, J.; Gutman, D., Electron Affinities of Halogen Diatomic Molecules as Determined by Endoergic Charge Exchange, J. Chem. Phys., 1971, 55, 6, 2724, https://doi.org/10.1063/1.1676487 . [all data]

Reese, Dibeter, et al., 1958
Reese, R.M.; Dibeter, V.H.; Franklin, J.L., Electron impact studies of sulfur dioxide and sulfuryl fluoride, J. Chem. Phys., 1958, 29, 880. [all data]

Van Lonkhuyzen and De Lange, 1984
Van Lonkhuyzen, H.; De Lange, C.A., High-resolution UV photoelectron spectroscopy of diatomic halogens, Chem. Phys., 1984, 89, 313. [all data]

Bieri, Schmelzer, et al., 1980
Bieri, G.; Schmelzer, A.; Asbrink, L.; Jonsson, M., Fluorine and the fluoroderivatives of acetylene and diacetylene studied by 30.4 nm He(II) photoelectron spectroscopy, Chem. Phys., 1980, 49, 213. [all data]

Guyon, Spohr, et al., 1976
Guyon, P.-M.; Spohr, R.; Chupka, W.A.; Berkowitz, J., Threshold photoelectron spectra of HF, DF, F₂, J. Chem. Phys., 1976, 65, 1650. [all data]

Gole and Margrave, 1972
Gole, J.L.; Margrave, J.L., The vacuum ultraviolet spectrum of molecular fluorine, J. Mol. Spectrosc., 1972, 43, 65. [all data]

Potts and Price, 1971
Potts, A.W.; Price, W.C., Photoelectron spectra of the halogens and mixed halides ICI and lBr, J. Chem. Soc. Faraday Trans., 1971, 67, 1242. [all data]

Cornford, Frost, et al., 1971
Cornford, A.B.; Frost, D.C.; McDowell, C.A.; Ragle, J.L.; Stenhouse, I.A., Photoelectron spectra of the halogens, J. Chem. Phys., 1971, 54, 2651. [all data]

Berkowitz, Chupka, et al., 1971
Berkowitz, J.; Chupka, W.A.; Guyon, P.M.; Holloway, J.H.; Spohr, R., Photoionization mass spectrometric study of F₂, HF, and DF, J. Chem. Phys., 1971, 54, 5165. [all data]

Anderson, Mamantov, et al., 1971
Anderson, C.P.; Mamantov, G.; Bull, W.E.; Grimm, F.A.; Carver, J.C.; Carlson, T.A., Photoelectron spectrum of chlorine monofluoride, Chem. Phys. Lett., 1971, 12, 137. [all data]

Dibeler, Walker, et al., 1969
Dibeler, V.H.; Walker, J.A.; McCulloh, K.E., Dissociation energy of fluorine, J. Chem. Phys., 1969, 50, 4592. [all data]

Iczkowski and Margrave, 1959
Iczkowski, R.P.; Margrave, J.L., Absorption spectrum of fluorine in the vacuum ultraviolet, J. Chem. Phys., 1959, 30, 403. [all data]

Dyke, Josland, et al., 1984
Dyke, J.M.; Josland, G.D.; Snijders, J.G.; Boerrigter, P.M., Ionization energies of the diatomic halogens and interhalogens studied with relativistic hartree-fock-slater calculations, Chem. Phys., 1984, 91, 419. [all data]

Veljkovic, Neskovic, et al., 1992
Veljkovic, M.V.; Neskovic, O.M.; Zmbov, K.F., Mass spectrometric study of the thermal decomposition of F₂, J. Serb. Chem. Soc., 1992, 57, 753. [all data]

Berkowitz and Wahl, 1973
Berkowitz, J.; Wahl, A.C., The dissociation energy of fluorine, Adv. Fluorine Chem., 1973, 7, 147. [all data]

Berkowitz, Chupka, et al., 1971, 2
Berkowitz, J.; Chupka, W.A.; Guyon, P.M.; Holloway, J.; Spohr, R., Photo-ionization studies of F₂, HF, DF, and the xenon fluorides, Advan. Mass Spectrom., 1971, 5, 112. [all data]

Stricker and Krauss, 1968
Stricker, W.; Krauss, L., Die Bestimmung der Dissoziationsenergie des F₂-Molekuls und ein Beitrag zu seinem Bandenspektrum, Z. Naturforsch. A, 1968, 23, 486. [all data]

Colbourn, Dagenais, et al., 1976
Colbourn, E.A.; Dagenais, M.; Douglas, A.E.; Raymonda, J.W., The electronic spectrum of F₂, Can. J. Phys., 1976, 54, 1343. [all data]

di Lonardo and Douglas, 1972
di Lonardo, G.; Douglas, A.E., Electronic spectra of HF and F₂, J. Chem. Phys., 1972, 56, 5185. [all data]

Steunenberg and Vogel, 1956
Steunenberg, R.K.; Vogel, R.C., The absorption spectrum of fluorine, J. Am. Chem. Soc., 1956, 78, 901. [all data]

Rees, 1957
Rees, A.L.G., Erratum: Electronic spectrum and dissociation energy of fluorine, J. Chem. Phys., 1957, 27, 1424. [all data]

Andrychuk, 1951
Andrychuk, D., The Raman spectrum of fluorine, Can. J. Phys., 1951, 29, 151. [all data]

Claassen, Selig, et al., 1969
Claassen, H.H.; Selig, H.; Shamir, J., Raman apparatus using laser excitation and polarization measurements. Rotational spectrum of fluorine, Appl. Spectrosc., 1969, 23, 8. [all data]

Stricker and Hochenbleicher, 1973
Stricker, W.; Hochenbleicher, J.G., Das lasererregte Raman-Spektrum von gasformigem Fluor, Z. Naturforsch. A, 1973, 28, 27. [all data]

Edwards, Good, et al., 1976
Edwards, H.G.M.; Good, E.A.M.; Long, D.A., Pure rotational Raman spectrum of fluorine, J. Chem. Soc. Faraday Trans. 2, 1976, 72, 984-987. [all data]

Ozier, Crapo, et al., 1964
Ozier, I.; Crapo, L.M.; Cederberg, J.W.; Ramsey, N.F., Nuclear interactions and rotational moment of F₂, Phys. Rev. Lett., 1964, 13, 482. [all data]

Das and Wahl, 1972
Das, G.; Wahl, A.C., Theoretical study of the F₂ molecule using the method of optimized valence configurations, J. Chem. Phys., 1972, 56, 3532. [all data]

Porter, 1968
Porter, T.L., Emission spectrum of molecular fluorine, J. Chem. Phys., 1968, 48, 2071. [all data]

Nathans, 1950
Nathans, M.W., The absorption spectrum and the dissociation energy of fluorine, J. Chem. Phys., 1950, 18, 1122. [all data]

Child and Bernstein, 1973
Child, M.S.; Bernstein, R.B., Diatomic interhalogens: systematics and implications of spectroscopic interatomic potentials and curve crossings, J. Chem. Phys., 1973, 59, 5916. [all data]

Blauer and Solomon, 1972
Blauer, J.; Solomon, W., Shock tube calorimeter for the dissociation energy of fluorine, J. Chem. Phys., 1972, 57, 3587. [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]

Stamper and Barrow, 1958
Stamper, J.G.; Barrow, R.F., The dissociation energy of fluorine, Trans. Faraday Soc., 1958, 54, 1592. [all data]

DeCorpo, Steiger, et al., 1970
DeCorpo, J.J.; Steiger, R.P.; Franklin, J.L.; Margrave, J.L., Dissociation energy of F₂, J. Chem. Phys., 1970, 53, 936. [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
  IE (evaluated)	Recommended ionization energy
  S°gas,1 bar	Entropy of gas at standard conditions (1 bar)

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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