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Experimental data for KF (Potassium Fluoride)

22 02 02 11 45
INChI INChIKey SMILES IUPAC name
InChI=1S/FH.K/h1H;/q;+1/p-1 NROKBHXJSPEDAR-UHFFFAOYSA-M [K]F
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 -326.77   kJ mol-1 webbook
Hfg(0K) enthalpy of formation     kJ mol-1 webbook
Entropy (298.15K) entropy 226.60   J K-1 mol-1 webbook
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 423 428 webbook      

Detailed diatomic data
ωe ωexe ωeye Be αe ZPE reference
428 2.4  

vibrational zero-point energy: 211.6 cm-1 (from fundamental vibrations)
Calculated vibrational frequencies for KF (Potassium Fluoride).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
  0.27994 0.27994 webbook

Calculated rotational constants for KF (Potassium Fluoride).
Product of moments of inertia moments of inertia
60.21928amu Å2   9.999803E-39gm cm2
Geometric Data
picture of Potassium 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
rKF 2.171 0.000 1 2 NISTdiatomic re 39K 19F

Cartesians
Atom x (Å) y (Å) z (Å)
K1 0.0000 0.0000 0.0000
F2 0.0000 0.0000 2.1715

Atom - Atom Distances bond lengths
Distances in Å
  K1 F2
K1   2.1715
F2 2.1715  

Calculated geometries for KF (Potassium Fluoride).

Bond descriptions


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

Connectivity
Atom 1 Atom 2
K1 F2
Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
0 1   1Σ
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     8.558 8.558 NISTdiatomic μe 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 KF (Potassium 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       C∞v 1 1

Calculated electric quadrupole moments for KF (Potassium Fluoride).

References
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squib reference DOI
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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