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Experimental data for SiO (Silicon monoxide)

22 02 02 11 45
Other names
Silicon monoxide; Silicon oxide; Silicon(II) oxide; Silylene, oxo-;
INChI INChIKey SMILES IUPAC name
InChI=1S/OSi/c1-2 LIVNPJMFVYWSIS-UHFFFAOYSA-N [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 Intensity Comment Description
Fundamental(cm-1) Harmonic(cm-1) Reference (km mol-1) unc. Reference
1 Σ 1230 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: 614.8 cm-1 (from fundamental vibrations)
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
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     3.088 3.088 1970Ray/Mue:3458-3461 MB μe0 = 3.0982) 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 SiO (Silicon monoxide).
Vibration specific dipole moments
Vibrational Quantum numbers Dip x Dip y Dip z Dip total Squib Comment
0       3.098 NISTDiatomic  
1       3.118    
2       3.137    
3       3.157    

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 SiO (Silicon monoxide).

References
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squib reference DOI
1970Ray/Mue:3458-3461 JW Raymonda, JS Muenter, WA Klemperer "Electric Dipole Moment of SiO and GeO" J. CHEM. PHYS. 52, 3458-3461 (1970) 10.1063/1.1673510
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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