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Experimental data for LiS (Lithium monosulfide)

22 02 02 11 45
INChI INChIKey SMILES IUPAC name
InChI=1S/Li.S JDZCKJOXGCMJGS-UHFFFAOYSA-N [Li][S]
State Conformation
2Π 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 Intensity Comment Description
Fundamental(cm-1) Harmonic(cm-1) Reference (km mol-1) unc. Reference
1 Σ   580 2001Bre/Ziu:249       estimate

Detailed diatomic data
ωe ωexe ωeye Be αe ZPE reference
580 0.6340409 6.790568E-03 2001Bre/Ziu:249

vibrational zero-point energy:   cm-1 (from fundamental vibrations)
Calculated vibrational frequencies for LiS (Lithium monosulfide).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
  0.63404   2001Bre/Ziu:249

Calculated rotational constants for LiS (Lithium monosulfide).
Product of moments of inertia moments of inertia
26.58761amu Å2   4.415044E-39gm cm2
Geometric Data
picture of Lithium monosulfide

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
rLiS 2.150   1 2 2001Bre/Ziu:249

Cartesians
Atom x (Å) y (Å) z (Å)
Li1 0.0000 0.0000 0.0000
S2 0.0000 0.0000 2.1497

Atom - Atom Distances bond lengths
Distances in Å
  Li1 S2
Li1   2.1497
S2 2.1497  

Calculated geometries for LiS (Lithium monosulfide).

Bond descriptions


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

Connectivity
Atom 1 Atom 2
Li1 S2
Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
0 2   2Π
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 2Π C∞v True           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 LiS (Lithium monosulfide).
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 2Π C∞v True       C∞v 1 1

Calculated electric quadrupole moments for LiS (Lithium monosulfide).
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