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 HBS (hydrogen boron sulfide)

Rotational Constants (cm-1)


See section I.F.4 to change rotational constant units
A B C
  0.63654  
Rotational Constants from 1973Pea/McC:1619
Calculated rotational constants for HBS (hydrogen boron sulfide).

Point Group C∞v

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
rBH 1.169 1 2 1973Pea/McC:1619
rBS 1.599 1 3 1973Pea/McC:1619
aHBS 180 2 1 3 1973Pea/McC:1619
picture of hydrogen boron sulfide

Bond descriptions


Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
H-B 1
B=S 1
Atom x (Å) y (Å) z (Å)
B1 0.0000 0.0000 0.0000
H2 0.0000 0.0000 1.1692
S3 0.0000 0.0000 -1.5995

Atom - Atom Distances (Å)
  B1 H2 S3
B11.16921.5995
H21.16922.7686
S31.59952.7686

Calculated geometries for HBS (hydrogen boron sulfide).
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
1973Pea/McC:1619 EF Pearson, RV McCormick "Rotational spectrum and structure of thioborine: HBS" J. Chem. Phys. 58(4), 1619-1621, 1973 10.1063/1.1679403

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


Browse
PreviousNext