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Listing of experimental geometry data for PF5 (Phosphorus pentafluoride)

Rotational Constants (cm-1)


See section I.F.4 to change rotational constant units
A B C
0.12564 0.10452 0.10452
Rotational Constants from 1991Sty/Bau:479
Calculated rotational constants for PF5 (Phosphorus pentafluoride).

Point Group D3h

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
rFP 1.577 1 5 Gurvich axial
rPF 1.534 1 2 Gurvich equatorial
picture of Phosphorus pentafluoride

Bond descriptions


Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
F-P 5
Atom x (Å) y (Å) z (Å)
P1 0.0000 0.0000 0.0000
F2 0.0000 1.5340 0.0000
F3 1.3285 -0.7670 0.0000
F4 -1.3285 -0.7670 0.0000
F5 0.0000 0.0000 1.5770
F6 0.0000 0.0000 -1.5770

Atom - Atom Distances (Å)
  P1 F2 F3 F4 F5 F6
P11.53401.53401.53401.57701.5770
F21.53402.65702.65702.20002.2000
F31.53402.65702.65702.20002.2000
F41.53402.65702.65702.20002.2000
F51.57702.20002.20002.20003.1540
F61.57702.20002.20002.20003.1540

Calculated geometries for PF5 (Phosphorus pentafluoride).
References
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squib reference DOI
1991Sty/Bau:479 Styger, C.; Bauder, A. "Pure Rotational Spectrum of Phosphorus Pentafluoride Observed by Microwave Fourier Transform Spectroscopy." Journal of Molecular Spectroscopy. 148, 479-493 (1991) 10.1016/0022-2852(91)90403-W
Gurvich Gurvich, L.V.; Veyts, I. V.; Alcock, C. B., Thermodynamic Properties of Individual Substances, Fouth Edition, Hemisphere Pub. Co., New York, 1989  

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