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Experimental data for SiC (silicon monocarbide)

22 02 02 11 45
Other names
Silicon carbide;
INChI INChIKey SMILES IUPAC name
InChI=1S/CSi/c1-2 HBMJWWWQQXIZIP-UHFFFAOYSA-N [Si]#[C]
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
Hfg(298.15K) enthalpy of formation 719.65   kJ mol-1 webbook
Hfg(0K) enthalpy of formation     kJ mol-1 webbook
Entropy (298.15K) entropy 213.02   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 953 965 1991Ebb/Dra:2292      

Detailed diatomic data
ωe ωexe ωeye Be αe ZPE reference
964.6 5.6 1991Ebb/Dra:2292

vibrational zero-point energy: 476.7 cm-1 (from fundamental vibrations)
Calculated vibrational frequencies for SiC (silicon monocarbide).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
  0.67705   1989Bra/Obr:7384

Calculated rotational constants for SiC (silicon monocarbide).
Product of moments of inertia moments of inertia
24.89849amu Å2   4.134555E-39gm cm2
Geometric Data
picture of silicon monocarbide

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
rCSi 1.722   1 2 1989Bra/Obr:7384 r0

Cartesians
Atom x (Å) y (Å) z (Å)
Si1 0.0000 0.0000 0.0000
C2 0.0000 0.0000 1.7219

Atom - Atom Distances bond lengths
Distances in Å
  Si1 C2
Si1   1.7219
C2 1.7219  

Calculated geometries for SiC (silicon monocarbide).

Bond descriptions


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

Connectivity
Atom 1 Atom 2
Si1 C2
Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
0 3   3Σ
6628 1   1Σ

Ionization Energies (eV)
Ionization Energy I.E. unc. vertical I.E. v.I.E. unc. reference
9.200 0.400     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 3Σ C∞v True           C∞v 1 1
2 1 1Σ C∞v True           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 SiC (silicon monocarbide).
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 3Σ C∞v True       C∞v 1 1
2 1 1Σ C∞v True       C∞v 1 1

Calculated electric quadrupole moments for SiC (silicon monocarbide).

References
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squib reference DOI
1989Bra/Obr:7384 CR Brazier, LC Obrien, PF Bernath "THE A3-SIGMAX3-PI TRANSITION OF THE SIC RADICAL" J. Chem. Phys. 91(12) 7384-7386, 1989 10.1063/1.457261
1991Ebb/Dra:2292 M Ebben, M Drabbels, JJ Termeulen "THE C3-PI(V'=0-6)-X3-PI(V''=0) TRANSITION IN SIC" J. Chem. Phys. 95(4) 2292-2298, 1991 10.1063/1.460988
webbook NIST Chemistry Webbook (http://webbook.nist.gov/chemistry) 10.18434/T4D303

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