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Experimental data for SiH3 (Silyl radical)

22 02 02 11 45
INChI INChIKey SMILES IUPAC name
InChI=1S/H3Si/h1H3/q+1 SCABQASLNUQUKD-UHFFFAOYSA-N [SiH3+]
State Conformation
1A1' D3H
Enthalpy of formation (Hfg), Entropy, Integrated heat capacity (0 K to 298.15 K) (HH), Heat Capacity (Cp)
Property Value Uncertainty units Reference Comment
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
2 A2 838   webbook      
4 E' 938   webbook      

Calculated vibrational frequencies for SiH3 (Silyl radical).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
5.21451 5.21451 2.58520 1994Dav/Smi:6166

Calculated rotational constants for SiH3 (Silyl radical).
Product of moments of inertia moments of inertia
68.15041amu3Å6   3.12058800330505E-118gm3 cm6
Geometric Data
picture of Silyl radical

Point Group D3h


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 1.460 0.010 1 2 1994Dav/Smi:6166 re
aHSiH 120 2 1 3 by symmetry

Cartesians
Atom x (Å) y (Å) z (Å)
Si1 0.0000 0.0000 0.0000
H2 0.0000 0.0000 1.4600
H3 0.0000 1.2644 -0.7300
H4 0.0000 -1.2644 -0.7300

Atom - Atom Distances bond lengths
Distances in Å
  Si1 H2 H3 H4
Si1   1.46001.46001.4600
H2 1.4600   2.52882.5288
H3 1.46002.5288   2.5288
H4 1.46002.52882.5288  

Calculated geometries for SiH3 (Silyl radical).

Experimental Bond Angles (degrees) from cartesians bond angles

atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 Si1 H3 120.000 H2 Si1 H4 120.000
H3 Si1 H4 120.000

Bond descriptions


Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
H-Si 3

Connectivity
Atom 1 Atom 2
Si1 H2
Si1 H3
Si1 H4
Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
0 1   1A1'
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 1A1' D3h True           D3h 0 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 SiH3 (Silyl radical).
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 1A1' D3h True       D3h 0 1

Calculated electric quadrupole moments for SiH3 (Silyl radical).

References
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squib reference DOI
1994Dav/Smi:6166 P. B. Davies and D. M. Smith "Diode laser spectroscopy and coupled analysis of the nu2 and nu4 fundamental bands of SiH3+" J. Chem. Phys. 100(9) 6166, 1995 10.1063/1.467081
webbook NIST Chemistry Webbook (http://webbook.nist.gov/chemistry) 10.18434/T4D303

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