return to home page

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

Listing of experimental geometry data for PO2 (Phosphorus dioxide)

Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
A B C
3.48598 0.28681 0.26423
Rotational Constants from 1985Kaw/Sai:4893
Calculated rotational constants for PO2 (Phosphorus dioxide).

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
rPO 1.467 1 2 1985Kaw/Sai:4893 r0 structure
aOPO 135.28 2 1 3 1985Kaw/Sai:4893 r0 structure
picture of Phosphorus dioxide

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

Atom x (Å) y (Å) z (Å)
P1 0.0000 0.0000 0.2879
O2 0.0000 1.3563 -0.2699
O3 0.0000 -1.3563 -0.2699

Atom - Atom Distances (Å)
  P1 O2 O3
P11.46651.4665
O21.46652.7125
O31.46652.7125

Calculated geometries for PO2 (Phosphorus dioxide).


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
1985Kaw/Sai:4893 K Kawaguchi, S Saito, E Hirota "Far-Infrared laser magnetic resonance detection and microwave spectroscopy of the PO2 radical" J. Chem. Phys. 82(11), 1985, 4893 10.1063/1.448661

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


Browse
PreviousNext