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Experimental data for KI (Potassium Iodide)

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INChI INChIKey SMILES IUPAC name
InChI=1S/HI.K/h1H;/q;+1/p-1 NLKNQRATVPKPDG-UHFFFAOYSA-M [K]I
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 -125.52   kJ mol-1 webbook
Hfg(0K) enthalpy of formation     kJ mol-1 webbook
Entropy (298.15K) entropy 258.28   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   187 webbook      

Detailed diatomic data
ωe ωexe ωeye Be αe ZPE reference
186.53 0.574 6.087473E-02 2.6776E-04 webbook

vibrational zero-point energy:   cm-1 (from fundamental vibrations)
Calculated vibrational frequencies for KI (Potassium Iodide).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
  0.06087   NISTDiatomic

Calculated rotational constants for KI (Potassium Iodide).
Product of moments of inertia moments of inertia
276.9233amu Å2   4.598491E-38gm cm2
Geometric Data
picture of Potassium Iodide

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
rKI 3.048 0.000 1 2 NISTDiatomic re

Cartesians
Atom x (Å) y (Å) z (Å)
K1 0.0000 0.0000 0.0000
I2 0.0000 0.0000 3.0478

Atom - Atom Distances bond lengths
Distances in Å
  K1 I2
K1   3.0478
I2 3.0478  

Calculated geometries for KI (Potassium Iodide).

Bond descriptions


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

Connectivity
Atom 1 Atom 2
K1 I2
Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
0 1   1Σ

Ionization Energies (eV)
Ionization Energy I.E. unc. vertical I.E. v.I.E. unc. reference
7.200 0.100     webbook

Electron Affinity (eV)
Electron Affinity unc. reference
0.728 0.010 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     10.820 10.820 NISTDiatomic   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 KI (Potassium Iodide).
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 KI (Potassium Iodide).

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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