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

Listing of experimental data for KH (Potassium hydride)

INChI SMILES IUPAC name
InChI=1/K.H [KH]
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 123.01   kJ mol-1 webbook
Hfg(0K) enthalpy of formation     kJ mol-1 webbook
Entropy (298.15K) entropy 198.02   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 (cm-1) Frequency Reference Intensity (km mol-1) Int. unc. Intensity Reference Comment
1 Σ 984 webbook       omega e

vibrational zero-point energy: 491.8 cm-1
Calculated vibrational frequencies for KH (Potassium hydride).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
  3.41230   webbook

Calculated rotational constants for KH (Potassium hydride).

Product of moments of inertia moments of inertia
4.940255amu Å2   8.203608E-40gm cm2

Geometric Data
picture of Potassium hydride

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
rHK 2.243 0.001 1 2 webbook re

Cartesians
Atom x (Å) y (Å) z (Å)
K1 0.0000 0.0000 0.0000
H2 0.0000 0.0000 2.2425

Atom - Atom Distances bond lengths
Distances in Å
  K1 H2
K1   2.2425
H2 2.2425  

Calculated geometries for KH (Potassium hydride).

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

Connectivity
Atom 1 Atom 2
K1 H2

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
8.000 1.000     webbook

Dipole, Quadrupole and Polarizability
Electric dipole moment dipole
Calculated electric dipole moments for KH (Potassium hydride).
Electric quadrupole moment quadrupole
Calculated electric quadrupole moments for KH (Potassium hydride).

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

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