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

Listing of experimental data for SiO (Silicon monoxide)

Other names
Silicon monoxide; Silicon oxide; Silicon(II) oxide; Silylene, oxo-;
INChI SMILES IUPAC name
InChI=1/OSi/c1-2 [Si][O] Silicon(II) oxide
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 -100.42 8.40 kJ mol-1 JANAF
Hfg(0K) enthalpy of formation -101.58 8.40 kJ mol-1 JANAF
Entropy (298.15K) entropy 211.58   J K-1 mol-1 JANAF
Integrated Heat Capacity (0 to 298.15K) integrated heat capacity 8.72   kJ mol-1 JANAF
Heat Capacity (298.15K) heat capacity 29.90   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 1242 NISTDiatomic      
Detailed diatomic data
ωe ωexe ωeye Be αe ZPE reference
1241.544 5.97437 6.090213E-03 0.726752 5.03784E-03 619.3922 2007Iri:389

vibrational zero-point energy: 620.8 cm-1
Calculated vibrational frequencies for SiO (Silicon monoxide).
More spectroscopic constants are available at the NIST Physics Laboratory website:
http://physics.nist.gov/PhysRefData/MolSpec/Diatomic/Html/Tables/SiO.html
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
  0.72675 0.72675 NISTdiatomic

Calculated rotational constants for SiO (Silicon monoxide).

Product of moments of inertia moments of inertia
23.19585amu Å2   3.851821E-39gm cm2

Geometric Data
picture of Silicon monoxide

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
rSiO 1.510 0.000 1 2 NISTdiatomic re

Cartesians
Atom x (Å) y (Å) z (Å)
Si1 0.0000 0.0000 0.0000
O2 0.0000 0.0000 1.5097

Atom - Atom Distances bond lengths
Distances in Å
  Si1 O2
Si1   1.5097
O2 1.5097  

Calculated geometries for SiO (Silicon monoxide).

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

Connectivity
Atom 1 Atom 2
Si1 O2

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
11.490 0.200     webbook

Dipole, Quadrupole and Polarizability
Electric dipole moment dipole
Dipole (Debye) Reference comment
3.098 NISTdiatomic  

Calculated electric dipole moments for SiO (Silicon monoxide).
Electric quadrupole moment quadrupole
Calculated electric quadrupole moments for SiO (Silicon monoxide).

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  
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)  
webbook NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)  

Got a better number? Please email us at cccbdb@nist.gov


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