return to home page

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

Listing of experimental data for SiN (Silicon nitride)

Other names
Silicon nitride; Silicon nitride (SiN);
INChI SMILES IUPAC name
InChI=1/NSi/c1-2 [Si]#N
State Conformation
2Σ 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 403.67 36.00 kJ mol-1 Gurvich
Hfg(0K) enthalpy of formation 402.48 36.00 kJ mol-1 Gurvich
Entropy (298.15K) entropy 216.81   J K-1 mol-1 Gurvich
Integrated Heat Capacity (0 to 298.15K) integrated heat capacity 8.73   kJ mol-1 Gurvich
Heat Capacity (298.15K) heat capacity 30.25   J K-1 mol-1 Gurvich
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 1151 1979HUB/HER      
Detailed diatomic data
ωe ωexe ωeye Be αe ZPE reference
1151.284 6.455 -0.0069 0.730927 0.005685 574.1044 2007Iri:389

vibrational zero-point energy: 575.7 cm-1
Calculated vibrational frequencies for SiN (Silicon nitride).
More spectroscopic constants are available at the NIST Physics Laboratory website:
http://physics.nist.gov/PhysRefData/MolSpec/Diatomic/Html/Tables/SiN.html
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
  0.73110   1979HUB/HER

Calculated rotational constants for SiN (Silicon nitride).

Product of moments of inertia moments of inertia
23.0579amu Å2   3.828914E-39gm cm2

Geometric Data
picture of Silicon nitride

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
rSiN 1.575   1 2 NISTdiatomic r0

Cartesians
Atom x (Å) y (Å) z (Å)
Si1 0.0000 0.0000 0.0000
N2 0.0000 0.0000 1.5719

Atom - Atom Distances bond lengths
Distances in Å
  Si1 N2
Si1   1.5719
N2 1.5719  

Calculated geometries for SiN (Silicon nitride).

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

Connectivity
Atom 1 Atom 2
Si1 N2

Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
0 2 1979HUB/HER 2Σ
Dipole, Quadrupole and Polarizability
Electric dipole moment dipole
Calculated electric dipole moments for SiN (Silicon nitride).
Electric quadrupole moment quadrupole
Calculated electric quadrupole moments for SiN (Silicon nitride).

References
By selecting the following links, you may be leaving NIST webspace. We have provided these links to other web sites because they may have information that would be of interest to you. No inferences should be drawn on account of other sites being referenced, or not, from this page. There may be other web sites that are more appropriate for your purpose. NIST does not necessarily endorse the views expressed, or concur with the facts presented on these sites. Further, NIST does not endorse any commercial products that may be mentioned on these sites. Please address comments about this page to cccbdb@nist.gov.
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
Gurvich Gurvich, L.V.; Veyts, I. V.; Alcock, C. B., Thermodynamic Properties of Individual Substances, Fouth Edition, Hemisphere Pub. Co., New York, 1989 10.1351/pac198961061027
NISTdiatomic NIST Diatomic Spectral Database (www.physics.nist.gov/PhysRefData/MolSpec/Diatomic/index.html)  

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


Browse
PreviousNext