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hydrogen fluoride

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Gas phase ion energetics data

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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 - E.P. Hunter and S.G. Lias
L - S.G. Lias

Data compiled as indicated in comments:
B - J.E. Bartmess
LLK - S.G. Lias, R.D. Levin, and S.A. Kafafi
RDSH - H.M. Rosenstock, K. Draxl, B.W. Steiner, and J.T. Herron
LL - S.G. Lias and J.F. Liebman

Quantity Value Units Method Reference Comment
IE (evaluated)16.03 ± 0.04eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)484.kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity456.7kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
16.06PEBieri, Schmelzer, et al., 1980LLK
15.98 ± 0.04PITiedemann, Anderson, et al., 1979LLK
16.05EIFoner and Hudson, 1978LLK
15.98 ± 0.04PINg, Trevor, et al., 1977LLK
16. ± 1.EIFarber and Srivastava, 1977LLK
16.039TEGuyon, Spohr, et al., 1976LLK
16.05 ± 0.04AUGShaw and Thomas, 1975LLK
16.1PEDebies and Rabalais, 1975LLK
16.044 ± 0.003PEWalker, Dehmer, et al., 1973LLK
16.03 ± 0.01PEBerkowitz, 1971LLK
16.007 ± 0.010PIBerkowitz, Chupka, et al., 1971LLK
16.05 ± 0.01PEBrundle, 1970RDSH
15.92 ± 0.01PIDibeler, Walker, et al., 1969RDSH
16.05 ± 0.01PELempka, Passmore, et al., 1968RDSH
16.06 ± 0.01PEFrost, McDowell, et al., 1967RDSH
16.12 ± 0.04PEBanna and Shirley, 1975Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
H+19.42 ± 0.01FPIBerkowitz, Ellison, et al., 1994LL
H+19.444FPIBerkowitz and Wahl, 1973LLK
H+16.061 ± 0.005F-PIBerkowitz, Chupka, et al., 1971LLK
H+19.45 ± 0.01FPIBerkowitz, Chupka, et al., 1971, 2LLK
H+>19.44 ± 0.02FPEBrundle, 1970RDSH

De-protonation reactions

Fluorine anion + Hydrogen cation = hydrogen fluoride

By formula: F- + H+ = HF

Quantity Value Units Method Reference Comment
Deltar1555. ± 5.kJ/molAVGN/AAverage of 6 out of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Deltar1530.0 ± 0.75kJ/molH-TSBlondel, Delsart, et al., 2001gas phase; Given: 3.4011895(25) eV, or 27432.446(19) cm-1, or 78.433266(577) kcal/mol; B
Deltar1529.4kJ/molH-TSMartin and Hepburn, 2000gas 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
Deltar1530.0 ± 0.75kJ/molH-TSBlondel, Cacciani, et al., 1989gas phase; Reported: 3.401190±0.000004 eV. acidity includes 0.9 kcal 0 to 298 K correction.; B
Deltar1529. ± 8.4kJ/molIMREBierbaum, Schmidt, et al., 1981gas phase; B
Deltar1503.7kJ/molN/ACheck, Faust, et al., 2001gas phase; FeCl3-; ; «DELTA»S(EA)=5.0; B

References

Go To: Top, Gas phase ion energetics data, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

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]

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]

Tiedemann, Anderson, et al., 1979
Tiedemann, P.W.; Anderson, S.L.; Ceyer, S.T.; Hirooka, T.; Ng, C.Y.; Mahan, B.H.; Lee, Y.T., Proton affinities of hydrogen halides determined by the molecular beam photoionization method, J. Chem. Phys., 1979, 71, 605. [all data]

Foner and Hudson, 1978
Foner, S.N.; Hudson, R.L., Mass spectrometry of excited state molecules: Observation of highly vibrationally excited HF by ionization potential measurement, J. Chem. Phys., 1978, 68, 2987. [all data]

Ng, Trevor, et al., 1977
Ng, C.Y.; Trevor, D.J.; Tiedemann, P.W.; Ceyer, S.T.; Kronebusch, P.L.; Mahan, B.H.; Lee, Y.T., Photoionization of dimeric polyatomic molecules: proton affinities of H2O and HF, J. Chem. Phys., 1977, 67, 4235. [all data]

Farber and Srivastava, 1977
Farber, M.; Srivastava, R.D., Mass spectrometric determination of the heats of formation of the silane fluorides, Chem. Phys. Lett., 1977, 51, 307. [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]

Shaw and Thomas, 1975
Shaw, R.W., Jr.; Thomas, T.D., Auger electron spectrum and ionization potentials of the HF molecule, Phys. Rev. A:, 1975, 11, 1491. [all data]

Debies and Rabalais, 1975
Debies, T.P.; Rabalais, J.W., Calculated photoionization cross-sections and angular distributions for the isoelectronic series Ne, HF, H2O, NH3, and CH4, J. Am. Chem. Soc., 1975, 97, 487. [all data]

Walker, Dehmer, et al., 1973
Walker, T.E.H.; Dehmer, P.M.; Berkowitz, J., Rotational band shapes in photoelectron spectroscopy: HF DF, J. Chem. Phys., 1973, 59, 4292. [all data]

Berkowitz, 1971
Berkowitz, J., Experimental potential energy curves for X2{PI} and 2«SIGMA»+ states of HF+, Chem. Phys. Lett., 1971, 11, 21. [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]

Brundle, 1970
Brundle, C.R., Ionization and dissociation energies of HF and DF and their bearing on D(F2), Chem. Phys. Lett., 1970, 7, 317. [all data]

Dibeler, Walker, et al., 1969
Dibeler, V.H.; Walker, J.A.; McCulloh, K.E., Photoionization study of the dissociation energy of fluorine and the heat of formation of hydrogen fluoride, J. Chem. Phys., 1969, 51, 4230. [all data]

Lempka, Passmore, et al., 1968
Lempka, H.J.; Passmore, T.R.; Price, W.C., The photoelectron spectra and ionized states of the halogen acids, Proc. Roy. Soc. (London), 1968, A304, 53. [all data]

Frost, McDowell, et al., 1967
Frost, D.C.; McDowell, C.A.; Vroom, D.A., Photoelectron spectra of the halogens and the hydrogen halides, J. Chem. Phys., 1967, 46, 4255. [all data]

Banna and Shirley, 1975
Banna, M.S.; Shirley, D.A., Molecular photoelectron spectroscopy at 132.3 eV. The second-row hydrides, J. Chem. Phys., 1975, 63, 4759. [all data]

Berkowitz, Ellison, et al., 1994
Berkowitz, J.; Ellison, G.B.; Gutman, D., Three methods to measure RH bond energies, J. Phys. Chem., 1994, 98, 2744. [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]

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]

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]

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]

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]

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]


Notes

Go To: Top, Gas phase ion energetics data, References