Fluorine atom
- Formula: F
- Molecular weight: 18.9984032
- IUPAC Standard InChIKey: YCKRFDGAMUMZLT-UHFFFAOYSA-N
- CAS Registry Number: 14762-94-8
- Chemical structure:
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Gas phase thermochemistry data
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, 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 | 18.97 ± 0.072 | kcal/mol | Review | Cox, Wagman, et al., 1984 | CODATA Review value |
ΔfH°gas | 18.97 | kcal/mol | Review | Chase, 1998 | Data last reviewed in June, 1982 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 37.9424 ± 0.001 | cal/mol*K | Review | Cox, Wagman, et al., 1984 | CODATA Review value |
S°gas,1 bar | 37.949 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1982 |
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) | 298. to 6000. |
---|---|
A | 5.251760 |
B | -0.229011 |
C | 0.060209 |
D | -0.005045 |
E | 0.024730 |
F | 17.50140 |
G | 44.50970 |
H | 18.97470 |
Reference | Chase, 1998 |
Comment | Data last reviewed in June, 1982 |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Ion clustering 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: John E. Bartmess
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
By formula: (F2- • 4294967295F) + F = F2-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 28.8 ± 1.6 | kcal/mol | CIDC | Wenthold and Squires, 1995 | gas phase; EA fixed at 0K value, not 298K of heat of formation |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Ion clustering data, 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:
B - John E. Bartmess
LL - Sharon G. Lias and Joel F. Liebman
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
View reactions leading to F+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 17.42282 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 81.29 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 75.31 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
3.401191 ± 0.000026 | LPD | Blondel, Delsart, et al., 2001 | Given: 3.4011895(25) eV, or 27432.446(19) cm-1, or 78.433266(577) kcal/mol; B |
3.40625 | D-EA | Drechsler, Boesl, et al., 1997 | Given: 129557.1±0.9 cm-1 at 0K (370.422±0.003). Corr to 298 with data in Gurvich, Veyts, et al. (=371.321); B |
3.40118 | LPD | Blondel, Cacciani, et al., 1989 | Reported: 3.401190±0.000004 eV. acidity includes 0.9 kcal 0 to 298 K correction.; B |
3.4480 ± 0.0050 | N/A | Berry and Reimann, 1963 | B |
3.48526 | N/A | Check, Faust, et al., 2001 | FeCl3-; ; ΔS(EA)=5.0; B |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
17.2 | EI | Veljkovic, Neskovic, et al., 1992 | LL |
17.42282 | EVAL | Lide, 1992 | LL |
17.423 | S | Kelly, 1987 | LBLHLM |
17.418 | S | Palenius, Huffman, et al., 1978 | LLK |
17.431 | S | Palenius, Huffman, et al., 1978 | LLK |
17.47 ± 0.02 | PE | De Leeuw, Mooyman, et al., 1978 | LLK |
17.42282 | S | Moore, 1970 | RDSH |
Anion protonation reactions
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 372. ± 1. | kcal/mol | AVG | N/A | Average of 6 out of 7 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 365.67 ± 0.18 | kcal/mol | H-TS | Blondel, Delsart, et al., 2001 | gas phase; Given: 3.4011895(25) eV, or 27432.446(19) cm-1, or 78.433266(577) kcal/mol; B |
ΔrG° | 365.53 | kcal/mol | H-TS | Martin and Hepburn, 2000 | gas phase; Given: 371.334±0.003 kcal/mol (corr to 298K with data from Wagman, Evans, et al., 1982).H(0K)=370.422±0.003; B |
ΔrG° | 365.67 ± 0.18 | kcal/mol | H-TS | Blondel, Cacciani, et al., 1989 | gas phase; Reported: 3.401190±0.000004 eV. acidity includes 0.9 kcal 0 to 298 K correction.; B |
ΔrG° | 365.5 ± 2.0 | kcal/mol | IMRE | Bierbaum, Schmidt, et al., 1981 | gas phase; B |
ΔrG° | 359.40 | kcal/mol | N/A | Check, Faust, et al., 2001 | gas phase; FeCl3-; ; ΔS(EA)=5.0; B |
Ion clustering data
Go To: Top, Gas phase thermochemistry data, Reaction 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: John E. Bartmess
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.
Clustering reactions
By formula: (F2- • 4294967295F) + F = F2-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 28.8 ± 1.6 | kcal/mol | CIDC | Wenthold and Squires, 1995 | gas phase; EA fixed at 0K value, not 298K of heat of formation |
References
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, 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]
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]
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]
Blondel, Delsart, et al., 2001
Blondel, C.; Delsart, C.; Goldfarb, F.,
Electron spectrometry at the mu eV level and the electron affinities of Si and F,
J. Phys. B: Atom. Mol. Opt. Phys., 2001, 34, 9, L281-L288, https://doi.org/10.1088/0953-4075/34/9/101
. [all data]
Drechsler, Boesl, et al., 1997
Drechsler, G.; Boesl, U.; Bassmann, C.; Schlag, E.W.,
Mass selected anion-zero kinetic energy photoelectron spectroscopy (anion-ZEKE): Ground and low excited states of FeO,
J. Chem. Phys., 1997, 107, 7, 2284-2291, https://doi.org/10.1063/1.474622
. [all data]
Gurvich, Veyts, et al.
Gurvich, L.V.; Veyts, I.V.; Alcock, C.B.,
Hemisphere Publishing, NY, 1989, V. 1 2, Thermodynamic Properties of Individual Substances, 4th Ed. [all data]
Blondel, Cacciani, et al., 1989
Blondel, C.; Cacciani, P.; Delsart, C.; Trainham, R.,
High Resolution Determination of the Electron Affinity of Fluorine and Bromine using Crossed Ion and Laser Beams,
Phys. Rev. A, 1989, 40, 7, 3698, https://doi.org/10.1103/PhysRevA.40.3698
. [all data]
Berry and Reimann, 1963
Berry, R.S.; Reimann, C.W.,
Absorption Spectrum of Gaseous Fluoride and the Electron Affinities of the Halogen Atoms,
J. Chem. Phys., 1963, 38, 7, 1540, https://doi.org/10.1063/1.1776916
. [all data]
Check, Faust, et al., 2001
Check, C.E.; Faust, T.O.; Bailey, J.M.; Wright, B.J.; Gilbert, T.M.; Sunderlin, L.S.,
Addition of Polarization and Diffuse Functions to the LANL2DZ Basis Set for P-Block Elements,
J. Phys. Chem. A,, 2001, 105, 34, 8111, https://doi.org/10.1021/jp011945l
. [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]
Lide, 1992
Lide, D.R. (Editor),
Ionization potentials of atoms and atomic ions
in Handbook of Chem. and Phys., 1992, 10-211. [all data]
Kelly, 1987
Kelly, R.L.,
Atomic and ionic spectrum lines of hydrogen through kryton,
J. Phys. Chem. Ref. Data, 1987, 16. [all data]
Palenius, Huffman, et al., 1978
Palenius, H.P.; Huffman, R.E.; Larrabee, J.C.; Tanaka, Y.,
The absorption spectrum of fluorine F I observed with the helium continuum,
J. Opt. Soc. Am., 1978, 68, 1564. [all data]
De Leeuw, Mooyman, et al., 1978
De Leeuw, D.M.; Mooyman, R.; De Lange, C.A.,
He(I) photoelectron spectroscopy of halogen atoms,
Chem. Phys. Lett., 1978, 54, 231. [all data]
Moore, 1970
Moore, C.E.,
Ionization potentials and ionization limits derived from the analyses of optical spectra,
Natl. Stand. Ref. Data Ser., (U.S. Natl. Bur. Stand.), 1970, 34, 1. [all data]
Martin and Hepburn, 2000
Martin, J.D.D.; Hepburn, J.W.,
Faraday Disc. Chem. Soc., 2000, 115, 416. [all data]
Wagman, Evans, et al., 1982
Wagman, D.D.; Evans, W.H.; Parker, V.B.; Schumm, R.H.; Halow, I.; Bailey, S.M.; Churney, K.L.; Nuttall, R.L.,
The NBS Tables of Chemical Thermodynamic Properties (NBS Tech Note 270),
J. Phys. Chem. Ref. Data, Supl. 1, 1982, 11. [all data]
Bierbaum, Schmidt, et al., 1981
Bierbaum, V.M.; Schmidt, R.J.; DePuy, C.H.; Mead, R.H.; Schulz, P.A.; Lineberger, W.C.,
Reactions of carbanions with triplet and singlet molecular oxygen,
J. Am. Chem. Soc., 1981, 103, 6262. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, References
- Symbols used in this document:
EA Electron affinity IE (evaluated) Recommended ionization energy S°gas,1 bar Entropy of gas at standard conditions (1 bar) ΔfH°gas Enthalpy of formation of gas at standard conditions ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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