National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 17bSeptember 2015
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 SiCl2 (Dichlorosilylene)

Rotational Constants (cm-1)

See section I.F.4 to change rotational constant units
0.49304 0.09415 0.07894
Rotational Constants from 1989Tan/Tak:2102
Calculated rotational constants for SiCl2 (Dichlorosilylene).

Point Group C2v

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 2.076 1 2 1995Kuchitsu(II/23)
aClSiCl 104.2 2 1 3 1995Kuchitsu(II/23)
picture of Dichlorosilylene

Bond descriptions

Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
Si-Cl 2

Atom x (Å) y (Å) z (Å)
Si1 0.0000 0.0000 0.0000
Cl2 1.6381 1.2753 0.0000
Cl3 -1.6381 1.2753 0.0000

Atom - Atom Distances (Å)

  Si1 Cl2 Cl3

Calculated geometries for SiCl2 (Dichlorosilylene).
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squib reference DOI
1989Tan/Tak:2102 Tanimoto, M.; Takeo, H.; Matsumura, C.; Fujitake, M.; Hirota, E. "Microwave spectroscopic detection of dichlorosilylene SiCl2 in the ground state." Journal of Chemical Physics. 91, 2102-2107 (1989) 10.1063/1.457070
1995Kuchitsu(II/23) Kuchitsu (ed.), Landolt-Bornstein: Group II: Molecules and Radicals Volume 23: Structure Data for Free Polyatomic Molecules. Springer. Berlin. 1995  

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