National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 22May 2022
NIST Standard Reference Database 101
IIntroduction
IIExperimental data
IIICalculated data
IVData comparisons
VCost comparisons
VIInput and output files
VIITutorials and Units
VIIILinks to other sites
IXFeedback
XOlder CCCBDB versions
XIIGeometries
XIII Vibrations
XIVReaction data
XVEntropy data
XVIBibliographic data
XVIIIon data
XVIIIBad calculations
XIXIndex of properties
XXH-bond dimers
XXIOddities
NIST policy on privacy, security, and accessibility.
© 2013 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved.

The National Institute of Standards and Technology (NIST) is an agency of the U.S. Department of Commerce.

Please send questions, comments, corrections, additions and suggestions to cccbdb@nist.gov.

return to home page

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

Listing of experimental geometry data for SCl2 (Sulfur dichloride)

Rotational Constants (cm-1)


See section I.F.4 to change rotational constant units
A B C
0.48746 0.09743 0.08108
Rotational Constants from 2000Biz/Clu:275
Calculated rotational constants for SCl2 (Sulfur dichloride).

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
rSCl 2.013 1 2 2000Biz/Clu:275 rs structure
aClSCl 102.71 2 1 3 2000Biz/Clu:275 rs structure
picture of Sulfur dichloride

Bond descriptions


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

Atom x (Å) y (Å) z (Å)
S1 0.0000 0.0000 0.8547
Cl2 0.0000 1.5721 -0.4022
Cl3 0.0000 -1.5721 -0.4022

Atom - Atom Distances (Å)

  S1 Cl2 Cl3
S12.01282.0128
Cl22.01283.1441
Cl32.01283.1441

Calculated geometries for SCl2 (Sulfur dichloride).
References
By selecting the following links, you may be leaving NIST webspace. We have provided these links to other web sites because they may have information that would be of interest to you. No inferences should be drawn on account of other sites being referenced, or not, from this page. There may be other web sites that are more appropriate for your purpose. NIST does not necessarily endorse the views expressed, or concur with the facts presented on these sites. Further, NIST does not endorse any commercial products that may be mentioned on these sites. Please address comments about this page to cccbdb@nist.gov.
squib reference DOI
2000Biz/Clu:275 L Bizzocchi, L Cludi, C Degli Esposti, A Giorgi "Millimeter-Wave Spectroscopy of Sulfur Dichloride" J. Mol. Spect. 204, 275-280, 2000 10.1006/jmsp.2000.8223

Got a better number? Please email us at cccbdb@nist.gov

Browse
PreviousNext