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II.A.1. (XV.A.)

Listing of experimental data for LiK (Lithium Potassium)

INChI SMILES IUPAC name
InChI=1S/K.Li [Li][K]
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
Information can also be found for this species in the NIST Chemistry Webbook
Vibrational levels (cm-1) vibrations
Mode Number Symmetry Frequency (cm-1) Frequency Reference Intensity (km mol-1) Int. unc. Intensity Reference Comment
1 Σ 207 webbook      

vibrational zero-point energy: 103.5 cm-1
Calculated vibrational frequencies for LiK (Lithium Potassium).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
  0.26500   webbook estimated

Calculated rotational constants for LiK (Lithium Potassium).

Product of moments of inertia moments of inertia
63.6137amu Å2   1.056347E-38gm cm2

Geometric Data
picture of Lithium Potassium

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
rLiK 3.270   1 2 webbook estimated

Cartesians
Atom x (Å) y (Å) z (Å)
Li1 0.0000 0.0000 0.0000
K2 0.0000 0.0000 3.2700

Atom - Atom Distances bond lengths
Distances in Å
  Li1 K2
Li1   3.2700
K2 3.2700  

Calculated geometries for LiK (Lithium Potassium).

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

Connectivity
Atom 1 Atom 2
Li1 Li1

Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
Dipole, Quadrupole and Polarizability
Electric dipole moment dipole
Dipole (Debye) Reference comment
3.450 webbook  

Calculated electric dipole moments for LiK (Lithium Potassium).
Electric quadrupole moment quadrupole
Calculated electric quadrupole moments for LiK (Lithium Potassium).

References
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squib reference DOI
webbook NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)  

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