hydrogen fluoride
- Formula: FH
- Molecular weight: 20.00634
- IUPAC Standard InChIKey: KRHYYFGTRYWZRS-UHFFFAOYSA-N
- CAS Registry Number: 7664-39-3
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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Reaction thermochemistry data
Go To: Top, 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 as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1555. ± 5. | kJ/mol | AVG | N/A | Average of 6 out of 7 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1530.0 ± 0.75 | kJ/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° | 1529.4 | kJ/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° | 1530.0 ± 0.75 | kJ/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° | 1529. ± 8.4 | kJ/mol | IMRE | Bierbaum, Schmidt, et al., 1981 | gas phase; B |
ΔrG° | 1503.7 | kJ/mol | N/A | Check, Faust, et al., 2001 | gas phase; FeCl3-; ; ΔS(EA)=5.0; B |
By formula: F- + HF = (F- • HF)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 192. ± 6.7 | kJ/mol | CIDC | Wenthold and Squires, 1995 | gas phase; B |
ΔrH° | 162. ± 8.4 | kJ/mol | IMRE | Larson and McMahon, 1983 | gas 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 |
ΔrH° | >145. ± 19. | kJ/mol | Ther | Heni and Illenberger, 1985 | gas 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 |
ΔrS° | 91.6 | J/mol*K | N/A | Larson and McMahon, 1983 | gas phase; switching reaction,Thermochemical ladder(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 134. ± 8.4 | kJ/mol | IMRE | Larson and McMahon, 1983 | gas 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° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
134. | 289. | ICR | Larson and McMahon, 1983 | gas phase; switching reaction,Thermochemical ladder(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M |
By formula: Cl- + HF = (Cl- • HF)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 91.2 ± 8.4 | kJ/mol | IMRE | Larson and McMahon, 1984 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 94.1 | J/mol*K | N/A | Larson and McMahon, 1984 | gas phase; switching reaction(Cl-)SO2, Entropy change calculated or estimated; Larson and McMahon, 1984, 2; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 63.2 ± 8.4 | kJ/mol | IMRE | Larson and McMahon, 1984 | gas phase; B,M |
By formula: Br- + HF = (Br- • HF)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 71.1 ± 8.4 | kJ/mol | Est | Larson and McMahon, 1984, 3 | gas phase; Extrapolated from other bihalide data; B |
ΔrH° | 71.1 | kJ/mol | HPMS | Caldwell, Masucci, et al., 1989 | gas phase; M |
By formula: I- + HF = (I- • HF)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 62.8 ± 8.4 | kJ/mol | Est | Larson and McMahon, 1984, 3 | gas phase; Extrapolated from other bihalide data; B |
ΔrH° | 63. | kJ/mol | PHPMS | Caldwell, Masucci, et al., 1989 | gas phase; M |
By formula: CF4 + 2H2O = CO2 + 4HF
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -174. ± 4.2 | kJ/mol | Cm | Good, Scott, et al., 1956 | gas phase; HF has 10 moles H2O, see Scott, Good, et al., 1955; ALS |
ΔrH° | -174. ± 4.2 | kJ/mol | Cm | Scott, Good, et al., 1955 | gas phase; Heat of hydrolysis; ALS |
By formula: H2 + C3H7F = C3H8 + HF
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -84.5 ± 1.3 | kJ/mol | Chyd | Lacher, Kianpour, et al., 1956 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -88.3 ± 2.9 kJ/mol; %hf298_gas[kcal/mol]=-66.97±0.71; Kolesov and Kozina, 1986; ALS |
By formula: H2 + C3H7F = C3H8 + HF
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -92.0 ± 2.1 | kJ/mol | Chyd | Lacher, Kianpour, et al., 1956 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -95.7 ± 6.7 kJ/mol; %hf298_gas[kcal/mol]=-66.71±0.62; Kolesov and Kozina, 1986; ALS |
By formula: C4H4F2N6O10 + 6O2 + C6H10O4 = 10CO2 + 2HF + 3N2 + 6H2O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -4976.2 ± 2.3 | kJ/mol | Ccr | Baroody and Carpenter, 1973 | solid phase; Corrected for CODATA value of ΔfH; HF.100H2O; ALS |
By formula: C4F9O- + HF = (C4F9O- • HF)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 71. | kJ/mol | ICR | Larson and McMahon, 1983 | gas phase; M |
By formula: C3HF6O- + HF = (C3HF6O- • HF)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 100. | kJ/mol | ICR | Larson and McMahon, 1983 | gas phase; M |
By formula: C4H3F6O- + HF = (C4H3F6O- • HF)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 110. | kJ/mol | ICR | Larson and McMahon, 1983 | gas phase; M |
By formula: CF2O + H2O = CO2 + 2HF
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -111.8 ± 1.0 | kJ/mol | Ccr | Wartenberg, 1949 | gas phase; solvent: Gas phase;; Corrected for CODATA value of ΔfH; ALS |
By formula: C2HClF4 + HF = C2HF5 + HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -10.5 ± 6.3 | kJ/mol | Kin | Coulson, 1993 | gas phase; solvent: On solid catalyst; ALS |
By formula: C2HClF4 + HCl = C2HCl2F3 + HF
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -1.7 ± 5.9 | kJ/mol | Kin | Coulson, 1993 | gas phase; solvent: On solid catalyst; ALS |
By formula: (H2F+ • HF) + HF = (H2F+ • 2HF)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 62. ± 18. | kJ/mol | PI | Tiedemann, Anderson, et al., 1979 | gas phase; M |
By formula: C2F4 + 2H2 = 2C + 4HF
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -618.4 ± 4.6 | kJ/mol | Chyd | Neugebauer and Margrave, 1956 | gas phase; ALS |
By formula: HF+ + HF = (HF+ • HF)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 140. | kJ/mol | PI | Tiedemann, Anderson, et al., 1979 | gas phase; ΔrH>; M |
By formula: CF4 + 4HF = CH4 + 4F2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -1922. ± 13. | kJ/mol | Cm | Jessup, McCoskey, et al., 1955 | gas phase; ALS |
By formula: H2F+ + HF = (H2F+ • HF)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 105. ± 10. | kJ/mol | PI | Tiedemann, Anderson, et al., 1979 | gas phase; M |
By formula: C2H3F + HF = C2H4F2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -50. | kJ/mol | Eqk | Moore, 1971 | gas phase; ALS |
Gas phase ion energetics data
Go To: Top, Reaction thermochemistry 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
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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 16.03 ± 0.04 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 484. | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 456.7 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
16.06 | PE | Bieri, Schmelzer, et al., 1980 | LLK |
15.98 ± 0.04 | PI | Tiedemann, Anderson, et al., 1979 | LLK |
16.05 | EI | Foner and Hudson, 1978 | LLK |
15.98 ± 0.04 | PI | Ng, Trevor, et al., 1977 | LLK |
16. ± 1. | EI | Farber and Srivastava, 1977 | LLK |
16.039 | TE | Guyon, Spohr, et al., 1976 | LLK |
16.05 ± 0.04 | AUG | Shaw and Thomas, 1975 | LLK |
16.1 | PE | Debies and Rabalais, 1975 | LLK |
16.044 ± 0.003 | PE | Walker, Dehmer, et al., 1973 | LLK |
16.03 ± 0.01 | PE | Berkowitz, 1971 | LLK |
16.007 ± 0.010 | PI | Berkowitz, Chupka, et al., 1971 | LLK |
16.05 ± 0.01 | PE | Brundle, 1970 | RDSH |
15.92 ± 0.01 | PI | Dibeler, Walker, et al., 1969 | RDSH |
16.05 ± 0.01 | PE | Lempka, Passmore, et al., 1968 | RDSH |
16.06 ± 0.01 | PE | Frost, McDowell, et al., 1967 | RDSH |
16.12 ± 0.04 | PE | Banna and Shirley, 1975 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
H+ | 19.42 ± 0.01 | F | PI | Berkowitz, Ellison, et al., 1994 | LL |
H+ | 19.444 | F | PI | Berkowitz and Wahl, 1973 | LLK |
H+ | 16.061 ± 0.005 | F- | PI | Berkowitz, Chupka, et al., 1971 | LLK |
H+ | 19.45 ± 0.01 | F | PI | Berkowitz, Chupka, et al., 1971, 2 | LLK |
H+ | >19.44 ± 0.02 | F | PE | Brundle, 1970 | RDSH |
De-protonation reactions
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1555. ± 5. | kJ/mol | AVG | N/A | Average of 6 out of 7 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1530.0 ± 0.75 | kJ/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° | 1529.4 | kJ/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° | 1530.0 ± 0.75 | kJ/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° | 1529. ± 8.4 | kJ/mol | IMRE | Bierbaum, Schmidt, et al., 1981 | gas phase; B |
ΔrG° | 1503.7 | kJ/mol | N/A | Check, Faust, et al., 2001 | gas phase; FeCl3-; ; ΔS(EA)=5.0; B |
References
Go To: Top, Reaction thermochemistry data, 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.
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,
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High Resolution Determination of the Electron Affinity of Fluorine and Bromine using Crossed Ion and Laser Beams,
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Reactions of carbanions with triplet and singlet molecular oxygen,
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Addition of Polarization and Diffuse Functions to the LANL2DZ Basis Set for P-Block Elements,
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Bond dissociation energies of F2(-) and HF2(-). A gas-phase experimental and G2 theoretical study,
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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,
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Heni and Illenberger, 1985
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The stability of the bifluoride ion (HF2-) in the gas phase,
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Three methods to measure RH bond energies,
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Hydration of Halide Negative Ions in the Gas Phase. II. Comparison of Hydration Energies for the Alkali Positive and Halide Negative Ions,
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Hydrogen bonding in gas phase anions. An experimental investigation of the interaction between chloride ion and bronsted acids from ICR chloride exchange equilibria,
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Gas phase negative ion chemistry of alkylchloroformates,
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Gas phase bihalide and pseudohalide ions. An ICR determination of hydrogen bond energies in XHY- species (X,Y = F, Cl, Br, CN),
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Negative Ion Chemical Ionization Mass Spectrometry - Binding of Molecules to Bromide and Iodide Anions,
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Good, Scott, et al., 1956
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Combustion calorimetry of organic fluorine compounds by a rotating-bomb method,
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Scott, Good, et al., 1955
Scott, D.W.; Good, W.D.; Waddington, G.,
Heat of formation of tetrafluoromethane from combustion calorimetry of polytetrafluoroethylene,
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Lacher, Kianpour, et al., 1956
Lacher, J.R.; Kianpour, A.; Park, J.D.,
Reaction heats of organic halogen compounds. VI. The catalytic hydrogenation of some alkyl fluorides,
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Cox and Pilcher, 1970
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Thermochemistry of organic and organohalogen compounds,
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Baroody and Carpenter, 1973
Baroody, E.E.; Carpenter, G.A.,
Enthalpies of formation of some fluorodinitroethyl derivatives and 2,2',4,4',6,6'-hexanitroazobenzene,
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Wartenberg, 1949
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Die bildungswarme einiger fluorid,
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Coulson, 1993
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Kinetics of the fluorination/chlorination of 1-chloro-1,2,2,2-tetrafluoroethane,
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Tiedemann, Anderson, et al., 1979
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Proton affinities of hydrogen halides determined by the molecular beam photoionization method,
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Neugebauer and Margrave, 1956
Neugebauer, C.A.; Margrave, J.L.,
The heats of formation of tetrafluoroethylene, tetrafluoromethane and 1,1-difluoroethylene,
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Jessup, McCoskey, et al., 1955
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The heat of formation of tetrafluoromethane,
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Moore, 1971
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Kinetics and thermodynamic data for the hydrogen fluoride addition to vinyl fluoride,
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Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G.,
Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
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Bieri, Schmelzer, et al., 1980
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Fluorine and the fluoroderivatives of acetylene and diacetylene studied by 30.4 nm He(II) photoelectron spectroscopy,
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Foner and Hudson, 1978
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Mass spectrometry of excited state molecules: Observation of highly vibrationally excited HF by ionization potential measurement,
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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,
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Farber and Srivastava, 1977
Farber, M.; Srivastava, R.D.,
Mass spectrometric determination of the heats of formation of the silane fluorides,
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Guyon, Spohr, et al., 1976
Guyon, P.-M.; Spohr, R.; Chupka, W.A.; Berkowitz, J.,
Threshold photoelectron spectra of HF, DF, F2,
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Shaw and Thomas, 1975
Shaw, R.W., Jr.; Thomas, T.D.,
Auger electron spectrum and ionization potentials of the HF molecule,
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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,
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Walker, Dehmer, et al., 1973
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Rotational band shapes in photoelectron spectroscopy: HF DF,
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Berkowitz, 1971
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Experimental potential energy curves for X2{PI} and 2Σ+ states of HF+,
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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,
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Brundle, 1970
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Ionization and dissociation energies of HF and DF and their bearing on D(F2),
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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,
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Lempka, Passmore, et al., 1968
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The photoelectron spectra and ionized states of the halogen acids,
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Photoelectron spectra of the halogens and the hydrogen halides,
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Banna and Shirley, 1975
Banna, M.S.; Shirley, D.A.,
Molecular photoelectron spectroscopy at 132.3 eV. The second-row hydrides,
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Berkowitz and Wahl, 1973
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The dissociation energy of fluorine,
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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]
Notes
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy IE (evaluated) Recommended ionization energy T Temperature ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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