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II.A.3. (XII.A.1.)

Listing of experimental geometry data for SiHCl3 (Trichlorosilane)

Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
A B C
0.08247 0.08247 0.05003
Rotational Constants from 1986Smi:110
Calculated rotational constants for SiHCl3 (Trichlorosilane).

Point Group C3v

Internal coordinates (distances (r) in Å) (angles (a) in degrees) (dihedrals (d) in degrees)
Description Value Connectivity Reference Comment
Atom 1 Atom 2 Atom 3 Atom 4
rSiH 1.464 1 2 1977Tak/Mat:1633 rs value
rSiCl 2.020 1 3 1977Tak/Mat:1633 rs value
aClSiCl 109.4 3 1 4 1977Tak/Mat:1633
aHSiCl 109.5 2 1 3 1977Tak/Mat:1633
picture of Trichlorosilane

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
Si-Cl 3

Atom x (Å) y (Å) z (Å)
Si1 0.0000 0.0000 0.4989
H2 0.0000 0.0000 1.9629
Cl3 0.0000 1.9041 -0.1754
Cl4 1.6490 -0.9521 -0.1754
Cl5 -1.6490 -0.9521 -0.1754

Atom - Atom Distances (Å)
  Si1 H2 Cl3 Cl4 Cl5
Si11.46402.02002.02002.0200
H21.46402.86322.86322.8632
Cl32.02002.86323.29813.2981
Cl42.02002.86323.29813.2981
Cl52.02002.86323.29813.2981

Calculated geometries for SiHCl3 (Trichlorosilane).


References
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squib reference DOI
1977Tak/Mat:1633 H Takeo, C Matsumura "The Microwave Spectra, Molecular Structures, and Quadrupole Coupling Constants of Methyltrichlorosilane and Trichlorosilane" Bulletin of the Chemical Society of Japan Vol. 50 (1977) No. 6 P 1633-1634 10.1246/bcsj.50.1633
1986Smi:110 JG Smith "The Millimetre Wave Spectrum of Trichlorosilane" J. Mol. Spect. 120, 110-117, 1986 10.1016/0022-2852(86)90074-3

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