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

Listing of experimental data for SeS (Selenium monosulfide)

Other names
Selenium sulphide; Sulfur selenide; selenium monosulfide;
INChI SMILES IUPAC name
InChI=1S/SSe/c1-2 [Se]=S selenium monosulfide
State Conformation
3Σ 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 556 webbook       omega e

vibrational zero-point energy: 277.8 cm-1
Calculated vibrational frequencies for SeS (Selenium monosulfide).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
  0.17926   webbook

Calculated rotational constants for SeS (Selenium monosulfide).

Product of moments of inertia moments of inertia
94.04012amu Å2   1.561597E-38gm cm2

Geometric Data
picture of Selenium 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
rSSe 2.037 0.001 1 2 webbook re 78Se 32S

Cartesians
Atom x (Å) y (Å) z (Å)
Se1 0.0000 0.0000 0.0000
S2 0.0000 0.0000 2.0367

Atom - Atom Distances bond lengths
Distances in Å
  Se1 S2
Se1   2.0367
S2 2.0367  

Calculated geometries for SeS (Selenium monosulfide).

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

Connectivity
Atom 1 Atom 2
Se1 S2

Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
0 3   3Σ

Ionization Energies (eV)
Ionization Energy I.E. unc. vertical I.E. v.I.E. unc. reference
9.200 0.200     webbook

Dipole, Quadrupole and Polarizability
Electric dipole moment dipole
Calculated electric dipole moments for SeS (Selenium monosulfide).
Electric quadrupole moment quadrupole
Calculated electric quadrupole moments for SeS (Selenium monosulfide).

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

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