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Experimental data for SiH (Silylidyne)

22 02 02 11 45
Other names
Silicon hydride; Silylidyne;
INChI INChIKey SMILES IUPAC name
InChI=1S/HSi/h1H QHGSGZLLHBKSAH-UHFFFAOYSA-N [SiH]
State Conformation
2Π 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 368.64 8.00 kJ mol-1 Gurvich
Hfg(0K) enthalpy of formation 366.94 8.00 kJ mol-1 Gurvich
Entropy (298.15K) entropy 198.05   J K-1 mol-1 Gurvich
Integrated Heat Capacity (0 to 298.15K) integrated heat capacity 9.15   kJ mol-1 Gurvich
Heat Capacity (298.15K) heat capacity 30.05   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 Intensity Comment Description
Fundamental(cm-1) Harmonic(cm-1) Reference (km mol-1) unc. Reference
1 Σ 1971 2043 2007Iri:389      

Detailed diatomic data
ωe ωexe ωeye Be αe ZPE reference
2042.523 36.0552 0.1254 7.503898 0.21814 1013.336 2007Iri:389

vibrational zero-point energy: 985.4 cm-1 (from fundamental vibrations)
Calculated vibrational frequencies for SiH (Silylidyne).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
  7.50390   2007Iri:389

Calculated rotational constants for SiH (Silylidyne).
Product of moments of inertia moments of inertia
2.246516amu Å2   3.730481E-40gm cm2
Geometric Data
picture of Silylidyne

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
rSiH 1.520   1 2 1979HUB/HER re

Cartesians
Atom x (Å) y (Å) z (Å)
Si1 0.0000 0.0000 0.0000
H2 0.0000 0.0000 1.5201

Atom - Atom Distances bond lengths
Distances in Å
  Si1 H2
Si1   1.5201
H2 1.5201  

Calculated geometries for SiH (Silylidyne).

Bond descriptions


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

Connectivity
Atom 1 Atom 2
Si1 H2
Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
0 2 1979HUB/HER 2Π
142.83 2 1979HUB/HER

Ionization Energies (eV)
Ionization Energy I.E. unc. vertical I.E. v.I.E. unc. reference
7.890 0.070     webbook

Electron Affinity (eV)
Electron Affinity unc. reference
1.277 0.009 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 2Π 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 SiH (Silylidyne).
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 2Π C∞v True       C∞v 1 1

Calculated electric quadrupole moments for SiH (Silylidyne).

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
Gurvich Gurvich, L.V.; Veyts, I. V.; Alcock, C. B., Thermodynamic Properties of Individual Substances, Fouth Edition, Hemisphere Pub. Co., New York, 1989  
webbook NIST Chemistry Webbook (http://webbook.nist.gov/chemistry) 10.18434/T4D303

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