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Experimental data for HF (Hydrogen fluoride)

22 02 02 11 45
Other names
Acide fluorhydrique; Acido fluoridrico; Anhydrous hydrofluoric acid; Fluoric acid; Fluorowodor; Fluorwasserstoff; Fluorwaterstof; Hydrofluoric acid; Hydrofluoride; Hydrogen fluoride; Rubigine;
INChI INChIKey SMILES IUPAC name
InChI=1S/FH/h1H KRHYYFGTRYWZRS-UHFFFAOYSA-N F Hydrogen fluoride
State Conformation
1Σ C*V
Enthalpy of formation (Hfg), Entropy, Integrated heat capacity (0 K to 298.15 K) (HH), Heat Capacity (Cp)
Property Value Uncertainty units Reference Comment
Hfg(298.15K) enthalpy of formation -273.30 0.70 kJ mol-1 CODATA
Hfg(0K) enthalpy of formation -273.25 0.70 kJ mol-1 CODATA
Entropy (298.15K) entropy 173.78 0.00 J K-1 mol-1 CODATA
Integrated Heat Capacity (0 to 298.15K) integrated heat capacity 8.60 0.00 kJ mol-1 CODATA
Heat Capacity (298.15K) heat capacity 29.14   J K-1 mol-1 Gurvich
Information can also be found for this species in the NIST Chemistry Webbook
Vibrational levels (cm-1) vibrations
Mode Number Symmetry Frequency Intensity Comment Description
Fundamental(cm-1) Harmonic(cm-1) Reference (km mol-1) unc. Reference
1 Σ 3961 4138 1999LeR:189       Y1,0

Detailed diatomic data
ωe ωexe ωeye Be αe ZPE reference
4138.385 89.94319 0.924488 20.95371 0.7933704 2050.77 2007Iri:389

vibrational zero-point energy: 1980.7 cm-1 (from fundamental vibrations)
Calculated vibrational frequencies for HF (Hydrogen fluoride).
More spectroscopic constants are available at the NIST Physics Laboratory website:
http://physics.nist.gov/PhysRefData/MolSpec/Diatomic/Html/Tables/HF.html
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
  20.95373 20.95373 1999LeR:189 Y0,1

Calculated rotational constants for HF (Hydrogen fluoride).
Product of moments of inertia moments of inertia
0.8045171amu Å2   1.335956E-40gm cm2
Geometric Data
picture of Hydrogen fluoride

Point Group C∞v


Internal coordinates
distances (r) in Å, angles (a) in degrees, dihedrals (d) in degrees
Description Value unc. Connectivity Reference Comment
Atom 1 Atom 2 Atom 3 Atom 4
rHF 0.917 0.000 1 2 NISTdiatomic re

Cartesians
Atom x (Å) y (Å) z (Å)
F1 0.0000 0.0000 0.0000
H2 0.0000 0.0000 0.9168

Atom - Atom Distances bond lengths
Distances in Å
  F1 H2
F1   0.9168
H2 0.9168  

Calculated geometries for HF (Hydrogen fluoride).

Bond descriptions


Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
H-F 1

Connectivity
Atom 1 Atom 2
F1 H2
Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
0 1 1979HUB/HER 1Σ
60600 1 1979HUB/HER
84776.65 1 1979HUB/HER

Ionization Energies (eV)
Ionization Energy I.E. unc. vertical I.E. v.I.E. unc. reference
16.030 0.040 16.120 0.040 webbook

Proton Affinity (kJ mol-1)
Proton Affinity unc. Product reference comment
484.0   H2F+ webbook  
Dipole, Quadrupole and Polarizability
Electric dipole moment dipole
State Config State description Conf description Exp. min. Dipole (Debye) Reference comment Point Group Components
x y z total dipole quadrupole
1 1 1Σ C∞v True       1.827 NISTDiatomic MB μ0 C∞v 1 1
Experimental dipole measurement abbreviations: MW microwave; DT Dielectric with Temperature variation; DR Indirect (usually an upper limit); MB Molecular beam
Calculated electric dipole moments for HF (Hydrogen fluoride).
Electric quadrupole moment quadrupole
State Config State description Conf description Exp. min. Quadrupole (D Å) Reference comment Point Group Components
xx yy zz dipole quadrupole
1 1 1Σ C∞v True -1.170 -1.170 2.339 1974Hel/Hel(II/6) C∞v 1 1

Calculated electric quadrupole moments for HF (Hydrogen fluoride).
Electric dipole polarizability (Å3) polarizability
alpha unc. Reference
0.800   1998Gus/Rui:163

Calculated electric dipole polarizability for HF (Hydrogen fluoride).

References
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squib reference DOI
1974Hel/Hel(II/6) Hellwege, KH and AM Hellwege (eds.). Landolt-Bornstein: Group II: Volume 6 Molecular Constants from Microwave, Molecular Beam, and Electron Spin Resonance Spectroscopy Springer-Verlag. Berlin. 1974. 10.1007/b19951 
1979HUB/HER Huber, K.P.; Herzberg, G., Molecular Spectra and Molecular Structure. IV. Constants of Diatomic Molecules, Van Nostrand Reinhold Co., 1979 10.1007/978-1-4757-0961-2
1998Gus/Rui:163 M Gussoni, R Rui, G Zerbi "Electronic and relaxation contribution to linear molecular polarizability. An analysis of the experimental values" J. Mol. Struct. 447 (1998) 163-215 10.1016/S0022-2860(97)00292-5
1999LeR:189 RJ Le Roy "Improved Parameterization from Combined Isotopomer Analysis of Diatomic Spectra and Its Application to HF and DF" J. Mol. Spect. 194, 189-196 (1999) 10.1006/jmsp.1998.7786
2007Iri:389 KK Irikura "Experimental Vibrational Zero-Point Energies: Diatomic Molecules" J. Phys. Chem. Ref. Data 36(2), 389, 2007 10.1063/1.2436891
CODATA Cox, J.D.; Wagman, D.D.; Medvedev, V.A.CODATA Key Values for Thermodynamics. Hemisphere, New York, 1989 10.1002/bbpc.19900940121
Gurvich Gurvich, L.V.; Veyts, I. V.; Alcock, C. B., Thermodynamic Properties of Individual Substances, Fouth Edition, Hemisphere Pub. Co., New York, 1989  
NISTdiatomic NIST Diatomic Spectral Database (www.physics.nist.gov/PhysRefData/MolSpec/Diatomic/index.html) 10.18434/T4T59X
webbook NIST Chemistry Webbook (http://webbook.nist.gov/chemistry) 10.18434/T4D303

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