hydrogen fluoride

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Ion clustering 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 compiled as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias

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

Bromine anion + hydrogen fluoride = (Bromine anion • hydrogen fluoride)

By formula: Br- + HF = (Br- • HF)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr17.0 ± 2.0kcal/molEstLarson and McMahon, 1984gas phase; Extrapolated from other bihalide data; B
Δr17.0kcal/molHPMSCaldwell, Masucci, et al., 1989gas phase; M

C3HF6O- + hydrogen fluoride = (C3HF6O- • hydrogen fluoride)

By formula: C3HF6O- + HF = (C3HF6O- • HF)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr25.kcal/molICRLarson and McMahon, 1983gas phase; M

C4F9O- + hydrogen fluoride = (C4F9O- • hydrogen fluoride)

By formula: C4F9O- + HF = (C4F9O- • HF)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr17.kcal/molICRLarson and McMahon, 1983gas phase; M

C4H3F6O- + hydrogen fluoride = (C4H3F6O- • hydrogen fluoride)

By formula: C4H3F6O- + HF = (C4H3F6O- • HF)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr26.kcal/molICRLarson and McMahon, 1983gas phase; M

Chlorine anion + hydrogen fluoride = (Chlorine anion • hydrogen fluoride)

By formula: Cl- + HF = (Cl- • HF)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr21.8 ± 2.0kcal/molIMRELarson and McMahon, 1984, 2gas phase; B,M
Quantity Value Units Method Reference Comment
Δr22.5cal/mol*KN/ALarson and McMahon, 1984, 2gas phase; switching reaction(Cl-)SO2, Entropy change calculated or estimated; Larson and McMahon, 1984, 3; M
Quantity Value Units Method Reference Comment
Δr15.1 ± 2.0kcal/molIMRELarson and McMahon, 1984, 2gas phase; B,M

Fluorine anion + hydrogen fluoride = (Fluorine anion • hydrogen fluoride)

By formula: F- + HF = (F- • HF)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr45.8 ± 1.6kcal/molCIDCWenthold and Squires, 1995gas phase; B
Δr38.6 ± 2.0kcal/molIMRELarson and McMahon, 1983gas phase; These relative affinities are ca. 10 kcal/mol weaker than threshold values (see Wenthold and Squires, 1995) for donors greater than ca. 27 kcal/mol in free energy. This discrepancy has not yet been resolved, though the stronger value appears preferable.; B,M
Δr>34.6 ± 4.6kcal/molTherHeni and Illenberger, 1985gas phase; From CHF=CHF. Outdataed HC2. thermo used. Current value ( Berkowitz, Ellison, et al., 1994) implies Haff>57.; B
Quantity Value Units Method Reference Comment
Δr21.9cal/mol*KN/ALarson and McMahon, 1983gas phase; switching reaction,Thermochemical ladder(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M
Quantity Value Units Method Reference Comment
Δr32.0 ± 2.0kcal/molIMRELarson and McMahon, 1983gas phase; These relative affinities are ca. 10 kcal/mol weaker than threshold values (see Wenthold and Squires, 1995) for donors greater than ca. 27 kcal/mol in free energy. This discrepancy has not yet been resolved, though the stronger value appears preferable.; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
32.0289.ICRLarson and McMahon, 1983gas phase; switching reaction,Thermochemical ladder(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M

Hydrogen fluoride, positive ion + hydrogen fluoride = (Hydrogen fluoride, positive ion • hydrogen fluoride)

By formula: HF+ + HF = (HF+ • HF)

Quantity Value Units Method Reference Comment
Δr33.kcal/molPITiedemann, Anderson, et al., 1979gas phase; ΔrH>; M

H2F+ + hydrogen fluoride = (H2F+ • hydrogen fluoride)

By formula: H2F+ + HF = (H2F+ • HF)

Quantity Value Units Method Reference Comment
Δr25.1 ± 2.5kcal/molPITiedemann, Anderson, et al., 1979gas phase; M

(H2F+ • hydrogen fluoride) + hydrogen fluoride = (H2F+ • 2hydrogen fluoride)

By formula: (H2F+ • HF) + HF = (H2F+ • 2HF)

Quantity Value Units Method Reference Comment
Δr14.8 ± 4.2kcal/molPITiedemann, Anderson, et al., 1979gas phase; M

Iodide + hydrogen fluoride = (Iodide • hydrogen fluoride)

By formula: I- + HF = (I- • HF)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr15.0 ± 2.0kcal/molEstLarson and McMahon, 1984gas phase; Extrapolated from other bihalide data; B
Δr15.kcal/molPHPMSCaldwell, Masucci, et al., 1989gas phase; M

References

Go To: Top, Ion clustering data, Notes

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

Larson and McMahon, 1984
Larson, J.W.; McMahon, T.B., Gas phase bihalide and pseudohalide ions. An ICR determination of hydrogen bond energies in XHY- species (X,Y = F, Cl, Br, CN), Inorg. Chem., 1984, 23, 2029. [all data]

Caldwell, Masucci, et al., 1989
Caldwell, G.W.; Masucci, J.A.; Ikonomou, M.G., Negative Ion Chemical Ionization Mass Spectrometry - Binding of Molecules to Bromide and Iodide Anions, Org. Mass Spectrom., 1989, 24, 1, 8, https://doi.org/10.1002/oms.1210240103 . [all data]

Larson and McMahon, 1983
Larson, J.W.; McMahon, T.B., Strong hydrogen bonding in gas-phase anions. An ion cyclotron resonance determination of fluoride binding energetics to bronsted acids from gas-phase fluoride exchange equilibria measurements, J. Am. Chem. Soc., 1983, 105, 2944. [all data]

Larson and McMahon, 1984, 2
Larson, J.W.; McMahon, T.B., Hydrogen bonding in gas phase anions. An experimental investigation of the interaction between chloride ion and bronsted acids from ICR chloride exchange equilibria, J. Am. Chem. Soc., 1984, 106, 517. [all data]

Larson and McMahon, 1984, 3
Larson, J.W.; McMahon, T.B., Gas phase negative ion chemistry of alkylchloroformates, Can. J. Chem., 1984, 62, 675. [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]

Heni and Illenberger, 1985
Heni, M.; Illenberger, E., The stability of the bifluoride ion (HF2-) in the gas phase, J. Chem. Phys., 1985, 83, 6056. [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]

Arshadi, Yamdagni, et al., 1970
Arshadi, M.; Yamdagni, R.; Kebarle, P., Hydration of Halide Negative Ions in the Gas Phase. II. Comparison of Hydration Energies for the Alkali Positive and Halide Negative Ions, J. Phys. Chem., 1970, 74, 7, 1475, https://doi.org/10.1021/j100702a014 . [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]


Notes

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