return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Home > Geometry > Experimental > Experimental Geometries OR Experimental > Geometry > Experimental Geometries

Listing of experimental geometry data for H2S2 (Disulfane)

Rotational Constants (cm-1)


See section I.F.4 to change rotational constant units
A B C
4.89866 0.23251 0.23242
Rotational Constants from 1991Beh/Mit:99
Calculated rotational constants for H2S2 (Disulfane).

Point Group C2

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
rSS 2.056 1 2 1991Beh/Mit:99
rSH 1.342 1 3 1991Beh/Mit:99
aHSS 97.88 1 2 4 1991Beh/Mit:99
dHSSH 90.3 3 1 2 4 1991Beh/Mit:99
picture of Disulfane

Bond descriptions


Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
H-S 2
S-S 1
Atom x (Å) y (Å) z (Å)
S1 0.0000 1.0282 -0.0552
S2 0.0000 -1.0282 -0.0552
H3 0.9425 1.2122 0.8824
H4 -0.9425 -1.2122 0.8824

Atom - Atom Distances (Å)
  S1 S2 H3 H4
S12.05641.34212.6051
S22.05642.60511.3421
H31.34212.60513.0710
H42.60511.34213.0710

Calculated geometries for H2S2 (Disulfane).
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
1991Beh/Mit:99 Behrend, J.; Mittler, P.; Winnewisser, G.; Yamada, K.M.T. "Spectra of Deuterated Disulfane and Spectroscopic Determination of Its Molecular Structure." Journal of Molecular Spectrosopy. 150, 99-119 (1991) 10.1016/0022-2852(91)90196-H

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


Browse
PreviousNext