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Computational Chemistry Comparison and Benchmark DataBase
Release 22May 2022
NIST Standard Reference Database 101
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II.A.3. (XII.A.1.)

Listing of experimental geometry data for SiCl4 (Silane, tetrachloro-)

Rotational Constants (cm-1)


See section I.F.4 to change rotational constant units
A B C
     
Rotational Constants from
Calculated rotational constants for SiCl4 (Silane, tetrachloro-).

Point Group Td

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
rSiCl 2.019 1 2 1969Rya/Hed:4986 !assumed tetrahedral
aClSiCl 109.4712 2 1 3 symmetry
picture of Silane, tetrachloro-

Bond descriptions


Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
Si-Cl 4

Atom x (Å) y (Å) z (Å)
Si1 0.0000 0.0000 0.0000
Cl2 1.1657 1.1657 1.1657
Cl3 -1.1657 -1.1657 1.1657
Cl4 -1.1657 1.1657 -1.1657
Cl5 1.1657 -1.1657 -1.1657

Atom - Atom Distances (Å)

  Si1 Cl2 Cl3 Cl4 Cl5
Si12.01902.01902.01902.0190
Cl22.01903.29703.29703.2970
Cl32.01903.29703.29703.2970
Cl42.01903.29703.29703.2970
Cl52.01903.29703.29703.2970

Calculated geometries for SiCl4 (Silane, tetrachloro-).
References
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squib reference DOI
1969Rya/Hed:4986 Ryan, Hedberg, Effect of Temperature on the Structure of Gaseous Molecules.* II. An Electron-Diffraction Investigation of the Molecular Structures of B2Cl4 and SiCl4. The Potential Function for Internal Rotation in B2Cl4., J. Chem. Phys., Vol. 50, #11, pgs. 4986-4995 10.1063/1.1670995

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