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Experimental data for LiH (Lithium Hydride)

22 02 02 11 45
Other names
Hydrure de lithium; Lithium hydride; Lithium hydride (LiH);
INChI INChIKey SMILES IUPAC name
InChI=1S/Li.H SIAPCJWMELPYOE-UHFFFAOYSA-N [LiH] Lithium hydride
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 140.62 0.04 kJ mol-1 JANAF
Hfg(0K) enthalpy of formation 140.80 0.04 kJ mol-1 JANAF
Entropy (298.15K) entropy 170.91   J K-1 mol-1 JANAF
Integrated Heat Capacity (0 to 298.15K) integrated heat capacity 8.69   kJ mol-1 JANAF
Heat Capacity (298.15K) heat capacity 29.73   J K-1 mol-1 JANAF
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 1360 1405 2007Iri:389      

Detailed diatomic data
ωe ωexe ωeye Be αe ZPE reference
1405.498 23.1679 0.170928 7.513731 0.2163911 697.9523 2007Iri:389

vibrational zero-point energy: 679.9 cm-1 (from fundamental vibrations)
Calculated vibrational frequencies for LiH (Lithium Hydride).
More spectroscopic constants are available at the NIST Physics Laboratory website:
http://physics.nist.gov/PhysRefData/MolSpec/Diatomic/Html/Tables/LiH.html
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
  7.51373   2007Iri:389

Calculated rotational constants for LiH (Lithium Hydride).
Product of moments of inertia moments of inertia
2.243577amu Å2   3.725604E-40gm cm2
Geometric Data
picture of Lithium 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
rLiH 1.595 0.000 1 2 NISTdiatomic re 7Li 1H

Cartesians
Atom x (Å) y (Å) z (Å)
Li1 0.0000 0.0000 0.0000
H2 0.0000 0.0000 1.5949

Atom - Atom Distances bond lengths
Distances in Å
  Li1 H2
Li1   1.5949
H2 1.5949  

Calculated geometries for LiH (Lithium Hydride).

Bond descriptions


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