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Experimental data for HF+ (hydrogen fluoride cation)

22 02 02 11 45
INChI INChIKey SMILES IUPAC name
InChI=1S/FH/h1H/q+1 GCZNJFDPFDGYDB-UHFFFAOYSA-N [FH+]
State Conformation
2Π 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
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 2913   1989Hov/Kei:599      

vibrational zero-point energy: 1456.3 cm-1 (from fundamental vibrations)
Calculated vibrational frequencies for HF+ (hydrogen fluoride cation).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
  17.11429   1989Hov/Kei:599

Calculated rotational constants for HF+ (hydrogen fluoride cation).
Product of moments of inertia moments of inertia
0.9850032amu Å2   1.635666E-40gm cm2
Geometric Data
picture of hydrogen fluoride cation

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 1.014   1 2 1989Hov/Kei:599 r0 from their B0

Cartesians
Atom x (Å) y (Å) z (Å)
F1 0.0000 0.0000 0.0000
H2 0.0000 0.0000 1.0145

Atom - Atom Distances bond lengths
Distances in Å
  F1 H2
F1   1.0145
H2 1.0145  

Calculated geometries for HF+ (hydrogen fluoride cation).

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 2   2Π
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 2Π C∞v True           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 cation).
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 2Π C∞v True       C∞v 1 1

Calculated electric quadrupole moments for HF+ (hydrogen fluoride cation).

References
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squib reference DOI
1989Hov/Kei:599 DC Hovde, ER Keim, RJ Saykally "Velocity modulation spectroscopy of molecular ions. The hyperfine-resolved rovibrational spectrum of HF+" Mol. Phys. 1989, 68,(3), 599-607 10.1080/00268978900102381

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