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Experimental data for SiS (silicon monosulfide)

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Other names
Silicon monosulfide; Silicon sulfide; silicon(II) sulfide;
INChI INChIKey SMILES IUPAC name
InChI=1S/SSi/c1-2 DWFFKGPZNGKUPH-UHFFFAOYSA-N [Si]=S silicon(II) sulfide
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 106.00 12.60 kJ mol-1 JANAF
Hfg(0K) enthalpy of formation 104.69 12.60 kJ mol-1 JANAF
Entropy (298.15K) entropy 223.80 2.00 J K-1 mol-1 JANAF
Integrated Heat Capacity (0 to 298.15K) integrated heat capacity 8.94   kJ mol-1 JANAF
Heat Capacity (298.15K) heat capacity 32.17   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 Intensity Comment Description
Fundamental(cm-1) Harmonic(cm-1) Reference (km mol-1) unc. Reference
1 Σ 744 750 1979HUB/HER      

Detailed diatomic data
ωe ωexe ωeye Be αe ZPE reference
749.6456 2.586232 1.048392E-03 0.3035279 1.47313E-03 374.2117 2007Iri:389

vibrational zero-point energy: 372.2 cm-1 (from fundamental vibrations)
Calculated vibrational frequencies for SiS (silicon monosulfide).
More spectroscopic constants are available at the NIST Physics Laboratory website:
http://physics.nist.gov/PhysRefData/MolSpec/Diatomic/Html/Tables/SiS.html
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
  0.30353   1979HUB/HER

Calculated rotational constants for SiS (silicon monosulfide).
Product of moments of inertia moments of inertia
55.53899amu Å2   9.222609E-39gm cm2
Geometric Data
picture of silicon 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
rSiS 1.929 0.000 1 2 NISTdiatomic re

Cartesians
Atom x (Å) y (Å) z (Å)
Si1 0.0000 0.0000 0.0000
S2 0.0000 0.0000 1.9293

Atom - Atom Distances bond lengths
Distances in Å
  Si1 S2
Si1   1.9293
S2 1.9293  

Calculated geometries for SiS (silicon monosulfide).

Bond descriptions


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

Connectivity
Atom 1 Atom 2
Si1 S2
Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
0 1 1979HUB/HER 1Σ

Ionization Energies (eV)
Ionization Energy I.E. unc. vertical I.E. v.I.E. unc. reference
10.530 0.020     webbook
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 1Σ C∞v True       1.730 NISTdiatomic MW +-0.06 D μ0 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 SiS (silicon 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 1Σ C∞v True       C∞v 1 1

Calculated electric quadrupole moments for SiS (silicon monosulfide).

References
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squib reference DOI
1979HUB/HER Huber, K.P.; Herzberg, G., Molecular Spectra and Molecular Structure. IV. Constants of Diatomic Molecules, Van Nostrand Reinhold Co., 1979 10.1007/978-1-4757-0961-2
2007Iri:389 KK Irikura "Experimental Vibrational Zero-Point Energies: Diatomic Molecules" J. Phys. Chem. Ref. Data 36(2), 389, 2007 10.1063/1.2436891
JANAF Chase, M.W., Jr.; Davies, C.A.; Downey, J.R., Jr.; Frurip, D.J.; McDonald, R.A.; Syverud, A.N., JANAF Thermochemical Tables (Third Edition), J. Phys. Chem. Ref. Data,Suppl. 1, 1985, 14, 1.  
NISTdiatomic NIST Diatomic Spectral Database (www.physics.nist.gov/PhysRefData/MolSpec/Diatomic/index.html) 10.18434/T4T59X
webbook NIST Chemistry Webbook (http://webbook.nist.gov/chemistry) 10.18434/T4D303

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