National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 19April 2018
NIST Standard Reference Database 101
IIExperimental data
IIICalculated data
IVData comparisons
VCost comparisons
VIInput and output files
VIITutorials and Units
VIIILinks to other sites
XOlder CCCBDB versions
XIII Vibrations
XIVReaction data
XVEntropy data
XVIBibliographic data
XVIIIon data
XVIIIBad calculations
XIXIndex of properties
XXH-bond dimers

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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
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

Calculated geometries for SiCl4 (Silane, tetrachloro-).
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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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