hydrogen fluoride

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Gas phase thermochemistry data

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering 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.

Quantity Value Units Method Reference Comment
Δfgas-273.30 ± 0.70kJ/molReviewCox, Wagman, et al., 1984CODATA Review value
Δfgas-272.55kJ/molReviewChase, 1998Data last reviewed in June, 1977
Quantity Value Units Method Reference Comment
gas,1 bar173.779 ± 0.003J/mol*KReviewCox, Wagman, et al., 1984CODATA Review value
gas,1 bar173.78J/mol*KReviewChase, 1998Data last reviewed in June, 1977

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 (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 298. to 1000.1000. to 6000.
A 30.1169324.57033
B -3.2466126.893391
C 2.868116-1.243874
D 0.4579140.082583
E -0.024861-0.234060
F -281.4912-279.7653
G 210.9226202.8525
H -272.5462-272.5462
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in June, 1977 Data last reviewed in June, 1977

Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Ion clustering 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 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

Fluorine anion + Hydrogen cation = hydrogen fluoride

By formula: F- + H+ = HF

Quantity Value Units Method Reference Comment
Δr1555. ± 5.kJ/molAVGN/AAverage of 6 out of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Δr1530.0 ± 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
Δr1529.4kJ/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
Δr1530.0 ± 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
Δr1529. ± 8.4kJ/molIMREBierbaum, Schmidt, et al., 1981gas phase; B
Δr1503.7kJ/molN/ACheck, Faust, et al., 2001gas phase; FeCl3-; ; ΔS(EA)=5.0; B

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
Δr192. ± 6.7kJ/molCIDCWenthold and Squires, 1995gas phase; B
Δr162. ± 8.4kJ/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>145. ± 19.kJ/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
Δr91.6J/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
Δr134. ± 8.4kJ/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° (kJ/mol) T (K) Method Reference Comment
134.289.ICRLarson and McMahon, 1983gas phase; switching reaction,Thermochemical ladder(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; 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
Δr91.2 ± 8.4kJ/molIMRELarson and McMahon, 1984gas phase; B,M
Quantity Value Units Method Reference Comment
Δr94.1J/mol*KN/ALarson and McMahon, 1984gas phase; switching reaction(Cl-)SO2, Entropy change calculated or estimated; Larson and McMahon, 1984, 2; M
Quantity Value Units Method Reference Comment
Δr63.2 ± 8.4kJ/molIMRELarson and McMahon, 1984gas phase; B,M

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
Δr71.1 ± 8.4kJ/molEstLarson and McMahon, 1984, 3gas phase; Extrapolated from other bihalide data; B
Δr71.1kJ/molHPMSCaldwell, Masucci, et al., 1989gas 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
Δr62.8 ± 8.4kJ/molEstLarson and McMahon, 1984, 3gas phase; Extrapolated from other bihalide data; B
Δr63.kJ/molPHPMSCaldwell, Masucci, et al., 1989gas phase; M

Tetrafluoromethane + 2Water = Carbon dioxide + 4hydrogen fluoride

By formula: CF4 + 2H2O = CO2 + 4HF

Quantity Value Units Method Reference Comment
Δr-174. ± 4.2kJ/molCmGood, Scott, et al., 1956gas phase; HF has 10 moles H2O, see Scott, Good, et al., 1955; ALS
Δr-174. ± 4.2kJ/molCmScott, Good, et al., 1955gas phase; Heat of hydrolysis; ALS

Hydrogen + Propane, 2-fluoro- = Propane + hydrogen fluoride

By formula: H2 + C3H7F = C3H8 + HF

Quantity Value Units Method Reference Comment
Δr-84.5 ± 1.3kJ/molChydLacher, Kianpour, et al., 1956gas 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

Hydrogen + n-Propyl fluoride = Propane + hydrogen fluoride

By formula: H2 + C3H7F = C3H8 + HF

Quantity Value Units Method Reference Comment
Δr-92.0 ± 2.1kJ/molChydLacher, Kianpour, et al., 1956gas 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

2-Fluoro-N-(2-fluoro-2,2-dinitroethyl)-N,2,2-trinitroethylamine + 6Oxygen + Ethanedioic acid, diethyl ester = 10Carbon dioxide + 2hydrogen fluoride + 3Nitrogen + 6Water

By formula: C4H4F2N6O10 + 6O2 + C6H10O4 = 10CO2 + 2HF + 3N2 + 6H2O

Quantity Value Units Method Reference Comment
Δr-4976.2 ± 2.3kJ/molCcrBaroody and Carpenter, 1973solid phase; Corrected for CODATA value of ΔfH; HF.100H2O; ALS

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
Δr71.kJ/molICRLarson and McMahon, 1983gas 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
Δr100.kJ/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
Δr110.kJ/molICRLarson and McMahon, 1983gas phase; M

Carbonic difluoride + Water = Carbon dioxide + 2hydrogen fluoride

By formula: CF2O + H2O = CO2 + 2HF

Quantity Value Units Method Reference Comment
Δr-111.8 ± 1.0kJ/molCcrWartenberg, 1949gas phase; solvent: Gas phase;; Corrected for CODATA value of ΔfH; ALS

Ethane, 2-chloro-1,1,1,2-tetrafluoro- + hydrogen fluoride = Ethane, pentafluoro- + Hydrogen chloride

By formula: C2HClF4 + HF = C2HF5 + HCl

Quantity Value Units Method Reference Comment
Δr-10.5 ± 6.3kJ/molKinCoulson, 1993gas phase; solvent: On solid catalyst; ALS

Ethane, 2-chloro-1,1,1,2-tetrafluoro- + Hydrogen chloride = Ethane, 2,2-dichloro-1,1,1-trifluoro- + hydrogen fluoride

By formula: C2HClF4 + HCl = C2HCl2F3 + HF

Quantity Value Units Method Reference Comment
Δr-1.7 ± 5.9kJ/molKinCoulson, 1993gas phase; solvent: On solid catalyst; ALS

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

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

Quantity Value Units Method Reference Comment
Δr62. ± 18.kJ/molPITiedemann, Anderson, et al., 1979gas phase; M

Ethene, tetrafluoro- + 2Hydrogen = 2carbon + 4hydrogen fluoride

By formula: C2F4 + 2H2 = 2C + 4HF

Quantity Value Units Method Reference Comment
Δr-618.4 ± 4.6kJ/molChydNeugebauer and Margrave, 1956gas phase; ALS

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

By formula: HF+ + HF = (HF+ • HF)

Quantity Value Units Method Reference Comment
Δr140.kJ/molPITiedemann, Anderson, et al., 1979gas phase; ΔrH>; M

Tetrafluoromethane + 4hydrogen fluoride = Methane + 4fluorine

By formula: CF4 + 4HF = CH4 + 4F2

Quantity Value Units Method Reference Comment
Δr-1922. ± 13.kJ/molCmJessup, McCoskey, et al., 1955gas phase; ALS

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

By formula: H2F+ + HF = (H2F+ • HF)

Quantity Value Units Method Reference Comment
Δr105. ± 10.kJ/molPITiedemann, Anderson, et al., 1979gas phase; M

Ethene, fluoro- + hydrogen fluoride = Ethane, 1,1-difluoro-

By formula: C2H3F + HF = C2H4F2

Quantity Value Units Method Reference Comment
Δr-50.kJ/molEqkMoore, 1971gas phase; ALS

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Ion clustering 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:
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 ± 0.04eVN/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
Δr1555. ± 5.kJ/molAVGN/AAverage of 6 out of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Δr1530.0 ± 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
Δr1529.4kJ/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
Δr1530.0 ± 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
Δr1529. ± 8.4kJ/molIMREBierbaum, Schmidt, et al., 1981gas phase; B
Δr1503.7kJ/molN/ACheck, Faust, et al., 2001gas 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, 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 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
Δr71.1 ± 8.4kJ/molEstLarson and McMahon, 1984, 3gas phase; Extrapolated from other bihalide data; B
Δr71.1kJ/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
Δr100.kJ/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
Δr71.kJ/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
Δr110.kJ/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
Δr91.2 ± 8.4kJ/molIMRELarson and McMahon, 1984gas phase; B,M
Quantity Value Units Method Reference Comment
Δr94.1J/mol*KN/ALarson and McMahon, 1984gas phase; switching reaction(Cl-)SO2, Entropy change calculated or estimated; Larson and McMahon, 1984, 2; M
Quantity Value Units Method Reference Comment
Δr63.2 ± 8.4kJ/molIMRELarson and McMahon, 1984gas 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
Δr192. ± 6.7kJ/molCIDCWenthold and Squires, 1995gas phase; B
Δr162. ± 8.4kJ/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>145. ± 19.kJ/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
Δr91.6J/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
Δr134. ± 8.4kJ/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° (kJ/mol) T (K) Method Reference Comment
134.289.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
Δr140.kJ/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
Δr105. ± 10.kJ/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
Δr62. ± 18.kJ/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
Δr62.8 ± 8.4kJ/molEstLarson and McMahon, 1984, 3gas phase; Extrapolated from other bihalide data; B
Δr63.kJ/molPHPMSCaldwell, Masucci, et al., 1989gas phase; M

Constants of diatomic molecules

Go To: Top, Gas phase thermochemistry data, 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.

Data compiled by: Klaus P. Huber and Gerhard H. Herzberg

Data collected through January, 1977

Symbols used in the table of constants
SymbolMeaning
State electronic state and / or symmetry symbol
Te minimum electronic energy (cm-1)
ωe vibrational constant – first term (cm-1)
ωexe vibrational constant – second term (cm-1)
ωeye vibrational constant – third term (cm-1)
Be rotational constant in equilibrium position (cm-1)
αe rotational constant – first term (cm-1)
γe rotation-vibration interaction constant (cm-1)
De centrifugal distortion constant (cm-1)
βe rotational constant – first term, centrifugal force (cm-1)
re internuclear distance (Å)
Trans. observed transition(s) corresponding to electronic state
ν00 position of 0-0 band (units noted in table)
Diatomic constants for H19F
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
Rydberg 1Rydberg levels converging to the ground state of HF+ have been observed in the electronic energy loss spectrum.
D 1Σ+ 1           D ← X 
di Londardo and Douglas, 1973
C 1Π (105820) [2636]   [16.0]     [1.049] C ← X R 105090.8
di Lonardo and Douglas, 1972; di Londardo and Douglas, 1973
b 3Π 2           b ← X 
di Lonardo and Douglas, 1972
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
B 1Σ+ 84776.65 1159.18 Z 18.005 3 0.184 4.0291 4 0.0177 5  1.932E-4 6  2.09086 B ↔ X 7 R 83304.96 Z
Johns and Barrow, 1959; missing citation
AContinuous absorption starting at 60600 cm-1. 8
Safari, 1954
X 1Σ+ 0 4138.32 9 Z 89.88 10  20.9557 9 11 12 0.798 13  21.51E-4 14  0.916808 15  
Mann, Thrush, et al., 1961; Herget, Deeds, et al., 1962; Fishburne and Rao, 1966; Webb and Rao, 1968
Rotation sp. 16 17
Rothschild, 1964; Revich and Stankevich, 1966; Mason and Nielsen, 1967
Mol. Beam el. Reson. 18
Weiss, 1963; Muenter and Klemperer, 1970; Muenter, 1972; de Leeuw and Dymanus, 1973
Mol. Beam magn. Reson. 19
Baker, Nelson, et al., 1961

Notes

1Two strong bands between 104000 and 116000 cm-1, not yet analysed.
2Absorption bands above 100000 cm-1, not yet analysed.
3The vibrational and rotational constants, were obtained from a fit to the seven lowest vibrational levels di Londardo and Douglas, 1973. See 7.
4RKR potential curves Fallon, Vanderslice, et al., 1960, di Londardo and Douglas, 1973.
5-0.000950(v+1/2)2 + 0.000060l(v+1/2)3; see 3.
6+0.182E-4(v+1/2) + 0.00551E-4(v+1/2)2; see 3.
7Very extensive band system (also called V-X) extending in absorption from 96000 to 117000, in emission from 36000 to 70000 cm-1. Strong perturbations above v'=27, but bands have been identified to v'=73. The B (or V) state was also observed in the electron energy loss spectrum Salama and Hasted, 1976.
8HF is quite transparent to 1650 Safari, 1954. Theoretical potential curves for three repulsive states (3Π, 1Π, 3Σ+) arising from ground state atomic products were given by Dunning, 1976.
9Introduction of the Dunham correction Webb and Rao, 1968 gives ωe = 4138.767 Webb and Rao, 1968 and Be = 20.9561.
10+0.90(v+1/2)3 - 0.0ll0(v+1/2)4 - 0.00067(v+1/2)5, v≤9 Webb and Rao, 1968. A different formula for higher vibrational levels (v≤19) was derived by Johns and Barrow, 1959. All levels up to the last (v=19) are tabulated in di Londardo and Douglas, 1973).
11For v=14,...19 the rotational levels break off at decreasing J on account of predissociation by rotation. A few broadened lines near these limits have been observed di Londardo and Douglas, 1973. From the limiting curve the dissociation energy 47333 ± 60 cm-1 has been determined di Londardo and Douglas, 1973.
12RKR potential curves Fallon, Vanderslice, et al., 1960, di Londardo and Douglas, 1973, Dunham potential coefficients Webb and Rao, 1968, Ogilvie and Koo, 1976. Ab initio calculations of molecular constants Bondybey, Pearson, et al., 1972, Krauss and Neumann, 1974, Meyer and Rosmus, 1975, Dunning, 1976.
13+0.0127(v+1/2)2 - 0.00044(v+1/2)3 , from Webb and Rao, 1968.
14-0.68E-4(v+1/2)+0.029E-4(v+1/2)2, He = 1.59E-7; from Webb and Rao, 1968; see also Mann, Thrush, et al., 1961.
15Rot.-vibr. Sp. 22 23 17
16Laser emission in the pure rotation spectrum Deutsch, 1967.
17Rotation and rotation-vibration spectra in rare-gas matrices Mason, von Holle, et al., 1971.
18μel(v=0,J=1) = 1.82618 D Muenter and Klemperer, 1970, Muenter, 1972; gJ = 0.7410, quadrupole moment Θm= 2.36E-26 esu cm2 de Leeuw and Dymanus, 1973; also nuclear spin - rotation and other hyperfine structure constants.
19Nuclear reorientation spectrum.
20From the limiting curve of dissociation for the ground state di Londardo and Douglas, 1973; see 11.
21From photoelectron spectra Walker, Dehmer, et al., 1973, Guyon, Spohr, et al., 1976, 2. Earlier photoionization studies yielded 16.007 eV Berkowitz, Chupka, et al., 1971, a value strongly affected by the presence of autoionizing Rydberg levels in the threshold region Guyon, Spohr, et al., 1976, 2. The second ionization potential (removal of a 3σ electron) from the photoelectron spectrum Berkowitz, 1971, Guyon, Spohr, et al., 1976, 2 is 19.118 eV in agreement with the value derived from the spectrum of HF+. The third and fourth ionization potentials (removal of a 2σ and 1σ electron, respectively) are 39.61 Banna and Shirley, 1975, Shaw and Thomas, 1975 and 694.25 eV Shaw and Thomas, 1975; these are vertical potentials from X-ray photoelectron spectra.
221-0, 2-0 bands studied in absorption under high resolution by Herget, Deeds, et al., 1962, Webb and Rao, 1968, 3-0, 4-0, 5-0 in the photographic infrared by Naude and Verleger, 1950, Fishburne and Rao, 1966. In emission, rotation-vibration bands have been studied by Mann, Thrush, et al., 1961 and Sileo and Cool, 1976, the latter extending the chemical laser emission, first observed in the 2-1 band by Kompa and Pimentel, 1967, to v=9 and Δv=6. Electric discharge induced laser emission in the 3-2, 2-1, 1-0 bands, see Deutsch, 1967, 2, Coldhar, Osgood, et al., 1971.
23Line strengths, collision-broadened widths, dipole moment function Meredith, 1972, Spellicy, Meredith, et al., 1972, Lie, 1974, Rimpel, 1974, Sileo and Cool, 1976, Yardley and Balint-Kurti, 1976. The radiative lifetime of v=1 [P(4) line] is 6.16 ms Hinchen, 1974. Sileo and Cool, 1976 give a vibrational dipole moment matrix for v ≤ 9 based on intensity measurements in chemical laser emission.

References

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering 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.

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Guyon, Spohr, et al., 1976
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Shaw and Thomas, 1975
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Debies and Rabalais, 1975
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Walker, Dehmer, et al., 1973
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Berkowitz, 1971
Berkowitz, J., Experimental potential energy curves for X2{PI} and 2Σ+ 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]

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Banna and Shirley, 1975
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Berkowitz, Chupka, et al., 1971, 2
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di Londardo and Douglas, 1973
di Londardo, G.; Douglas, A.E., The electronic spectrum of HF. I. The B1Σ+-X1Σ+ 1 band system, Can. J. Phys., 1973, 51, 434. [all data]

di Lonardo and Douglas, 1972
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Johns and Barrow, 1959
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Mann, Thrush, et al., 1961
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Herget, Deeds, et al., 1962
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Fishburne and Rao, 1966
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Webb and Rao, 1968
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Rothschild, 1964
Rothschild, W.G., Pure rotational absorption spectrum of hydrogen fluoride vapor between 22 and 250 μ, J. Opt. Soc. Am., 1964, 54, 20. [all data]

Revich and Stankevich, 1966
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Mason and Nielsen, 1967
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Weiss, 1963
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Muenter and Klemperer, 1970
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Muenter, 1972
Muenter, J.S., Polarizability anisotropy of hydrogen fluoride, J. Chem. Phys., 1972, 56, 5409. [all data]

de Leeuw and Dymanus, 1973
de Leeuw, F.H.; Dymanus, A., Magnetic properties and molecular quadrupole moment of HF and HCl by molecular-beam electric-resonance spectroscopy, J. Mol. Spectrosc., 1973, 48, 427. [all data]

Baker, Nelson, et al., 1961
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Fallon, R.J.; Vanderslice, J.T.; Mason, E.A., Potential energy curves of hydrogen fluoride, J. Chem. Phys., 1960, 32, 698. [all data]

Salama and Hasted, 1976
Salama, A.; Hasted, J.B., Electron energy loss spectrum of hydrogen fluoride, J. Phys. B:, 1976, 9, 333. [all data]

Dunning, 1976
Dunning, T.H., Jr., The low-lying states of hydrogen fluoride: potential energy curves for the X1Σ+, 3Σ+, 3Π, and 1Π states, J. Chem. Phys., 1976, 65, 3854. [all data]

Ogilvie and Koo, 1976
Ogilvie, J.F.; Koo, D., Dunham potential energy coefficients of the hydrogen halides and carbon monoxide, J. Mol. Spectrosc., 1976, 61, 332-336. [all data]

Bondybey, Pearson, et al., 1972
Bondybey, V.; Pearson, P.K.; Schaefer, H.F., III, Theoretical potential energy curves for OH, HF+, HF, HF-, NeH+, and NeH, J. Chem. Phys., 1972, 57, 1123. [all data]

Krauss and Neumann, 1974
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Meyer and Rosmus, 1975
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Deutsch, 1967
Deutsch, T.F., Laser emission from HF rotational transitions, Appl. Phys. Lett., 1967, 11, 18. [all data]

Mason, von Holle, et al., 1971
Mason, M.G.; von Holle, W.G.; Robinson, D.W., Mid- and far-infrared spectra of HF and DF in rare-gas matrices, J. Chem. Phys., 1971, 54, 3491. [all data]

Guyon, Spohr, et al., 1976, 2
Guyon, P.-M.; Spohr, R.; Chupka, W.A.; Berkowitz, J., Threshold photoelectron spectra of HF, DF, and F2, J. Chem. Phys., 1976, 65, 1650-1658. [all data]

Naude and Verleger, 1950
Naude, S.M.; Verleger, H., The vibration-rotation bands of the hydrogen halides HF, H35Cl, H37Cl, H79Br, H81Br and H127I, Proc. Phys. Soc. London Sect. A, 1950, 63, 470. [all data]

Sileo and Cool, 1976
Sileo, R.N.; Cool, T.A., Overtone emission spectroscopy of HF and DF: vibrational matrix elements and dipole moment function, J. Chem. Phys., 1976, 65, 117. [all data]

Kompa and Pimentel, 1967
Kompa, K.L.; Pimentel, G.C., Hydrofluoric acid chemical laser, J. Chem. Phys., 1967, 47, 857. [all data]

Deutsch, 1967, 2
Deutsch, T.F., Molecular laser action in hydrogen and deuterium halides, Appl. Phys. Lett., 1967, 10, 234. [all data]

Coldhar, Osgood, et al., 1971
Coldhar, J.; Osgood, R.M., Jr.; Javan, A., Observation of intense superradiant emission in the high-gain infrared transitions of HF and DF molecules, Appl. Phys. Lett., 1971, 18, 167. [all data]

Meredith, 1972
Meredith, R.E., Strengths and widths in the first overtone band of hydrogen fluoride, J. Quant. Spectrosc. Radiat. Transfer, 1972, 12, 485. [all data]

Spellicy, Meredith, et al., 1972
Spellicy, R.L.; Meredith, R.E.; Smith, F.G., Strengths and collision broadened widths in the second overtone band of hydrogen fluoride, J. Chem. Phys., 1972, 57, 5119. [all data]

Lie, 1974
Lie, G.C., Study of the theoretical dipole moment function and infrared transition matrix for the X1Σ+ state of the HF molecule, J. Chem. Phys., 1974, 60, 2991. [all data]

Rimpel, 1974
Rimpel, G., Linienstarken in der 4-0- und 5-0-Rotationsschwingungsbande von Fluorwasserstoff, Z. Naturforsch. A, 1974, 29, 588. [all data]

Yardley and Balint-Kurti, 1976
Yardley, R.N.; Balint-Kurti, G.G., Ab initio valence-bond calculations on HF, LiH, LiH+ and LiF, Mol. Phys., 1976, 31, 921. [all data]

Hinchen, 1974
Hinchen, J.J., Determination of vibration-rotation line strengths for HF and DF by use of an HF/DF cw laser, J. Opt. Soc. Am., 1974, 64, 1162. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Constants of diatomic molecules, References