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

Listing of experimental geometry data for OCSe (Carbonyl selenide)

Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
A B C
  0.13401 0.13401
Rotational Constants from NISTtriatomic
Calculated rotational constants for OCSe (Carbonyl selenide).

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
rCO 1.159 1 2 1976Hellwege(II/7) r0
rCSe 1.709 1 3 1976Hellwege(II/7) r0
aOCSe 180 2 1 3 1976Hellwege(II/7)
picture of Carbonyl selenide

Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
C=O 1
C=Se 1

Atom x (Å) y (Å) z (Å)
C1 0.0000 0.0000 0.0000
O2 0.0000 0.0000 -1.1588
Se3 0.0000 0.0000 1.7090

Atom - Atom Distances (Å)
  C1 O2 Se3
C11.15881.7090
O21.15882.8678
Se31.70902.8678

Calculated geometries for OCSe (Carbonyl selenide).


References
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squib reference DOI
1976Hellwege(II/7) Hellwege, KH and AM Hellwege (ed.). Landolt-Bornstein: Group II: Atomic and Molecular Physics Volume 7: Structure Data of Free Polyatomic Molecules. Springer-Verlag. Berlin. 1976.  
NISTtriatomic NIST Triatomic Spectral Database (http://www.physics.nist.gov/PhysRefData/MolSpec/Triatomic/index.html)  

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


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