return to home page

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

Listing of experimental geometry data for CS2 (Carbon disulfide)

Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
A B C
  0.10910  
Rotational Constants from 1966Herzberg
Calculated rotational constants for CS2 (Carbon disulfide).

Point Group D∞h

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
rCS 1.554 1 2 1966Herzberg
aSCS 180 2 1 3 1966Herzberg
picture of Carbon disulfide

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

Atom x (Å) y (Å) z (Å)
C1 0.0000 0.0000 0.0000
S2 0.0000 0.0000 1.5540
S3 0.0000 0.0000 -1.5540

Atom - Atom Distances (Å)
  C1 S2 S3
C11.55401.5540
S21.55403.1080
S31.55403.1080

Calculated geometries for CS2 (Carbon disulfide).


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
1966Herzberg Herzberg, G., Electronic spectra and electronic structure of polyatomic molecules,Van Nostrand,New York, 1966  

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


Browse
PreviousNext