return to home page

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

Listing of experimental geometry data for F3PO (Phosphoryl fluoride)

Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
Rotational Constants from 1952Wil/She:164
Calculated rotational constants for F3PO (Phosphoryl fluoride).

Point Group C3v

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
rPF 1.524 1 3 1976Hellwege(II/7)
rPO 1.436 1 2 1976Hellwege(II/7)
aFPF 101.3 3 1 4 1976Hellwege(II/7)
aOPF 116.76 2 1 3 1976Hellwege(II/7) by symmetry
picture of Phosphoryl fluoride

Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
O=P 1
F-P 3

Atom x (Å) y (Å) z (Å)
P1 0.0000 0.0000 0.1407
O2 0.0000 0.0000 1.5767
F3 0.0000 1.3609 -0.5453
F4 1.1786 -0.6805 -0.5453
F5 -1.1786 -0.6805 -0.5453

Atom - Atom Distances (Å)
  P1 O2 F3 F4 F5

Calculated geometries for F3PO (Phosphoryl fluoride).

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
squib reference DOI
1952Wil/She:164 Williams, Q.; Sheridan, J.; Gordy, W. "Microwave Spectra and molecular Structures of POF3, PSF3, POCl3, and PSCl3." Journal of Chemical Physics. 20, 164-167 (1952) 10.1063/1.1700162
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.  

Got a better number? Please email us at