Phosphorus pentafluoride
- Formula: F5P
- Molecular weight: 125.965778
- IUPAC Standard InChI: InChI=1S/F5P/c1-6(2,3,4)5
- IUPAC Standard InChIKey: OBCUTHMOOONNBS-UHFFFAOYSA-N
- CAS Registry Number: 7647-19-0
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Phosphorus(V) fluoride; PF5; Phosphorane, pentafluoro-; UN 2198; Phosphorus fluoride
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Gas phase ion energetics data
Go To: Top, Vibrational and/or electronic energy levels, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
B - John E. Bartmess
Electron affinity determinations
| EA (eV) | Method | Reference | Comment |
|---|---|---|---|
| 0.75 ± 0.15 | IMRB | Miller, Miller, et al., 1994 | B |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 15.54 | PE | Goodman, Dewar, et al., 1973 | Vertical value; LLK |
| 15.6 | PE | Cox, Evans, et al., 1972 | Vertical value; LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| F4P+ | 14.98 | F | EI | Neskovic, Miletic, et al., 1983 | LBLHLM |
Vibrational and/or electronic energy levels
Go To: Top, Gas phase ion energetics data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Takehiko Shimanouchi
Symmetry: D3h Symmetry Number σ = 6
| Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
|---|---|---|---|---|---|---|---|---|---|---|
| Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
| a1' | 1 | PF3 s-str | 816 | B | 816 p | gas | ||||
| a1' | 2 | PF2 s-str | 648 | C | 648 p | gas | ||||
| a2 | 3 | PF2 a-str | 947 | B | 946.6 VS | gas | ||||
| a2 | 4 | PF3 op-deform | 575 | B | 575.1 M | gas | ||||
| e' | 5 | PF3 d-str | 1024 | B | 1024 VS | gas | 1029 | gas | ||
| e' | 6 | PF3 d-deform | 533 | B | 532.5 M | gas | 535 dp | gas | ||
| e' | 7 | PF bend | 174 | C | 174 dp | gas | ||||
| e | 8 | PF bend | 520 | C | 520 dp | gas | ||||
Source: Shimanouchi, 1972
Notes
| VS | Very strong |
| M | Medium |
| p | Polarized |
| dp | Depolarized |
| B | 1~3 cm-1 uncertainty |
| C | 3~6 cm-1 uncertainty |
References
Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Miller, Miller, et al., 1994
Miller, T.M.; Miller, A.E.S.; Viggiano, A.A.; Morris, R.A.; Paulson, J.F.,
Negative ion reactions with PF5 and the electron affinity of PF5,
J. Chem. Phys., 1994, 100, 10, 7200, https://doi.org/10.1063/1.466918
. [all data]
Goodman, Dewar, et al., 1973
Goodman, D.W.; Dewar, M.J.R.; Schweiger, J.R.; Cowley, A.H.,
The photoelectron spectrum of phosphorus pentafluoride,
Chem. Phys. Lett., 1973, 21, 474. [all data]
Cox, Evans, et al., 1972
Cox, P.A.; Evans, S.; Orchard, A.F.; Richardson, N.V.; Roberts, P.J.,
Simple quantitative molecular orbital methods used in connection with photoelectron spectroscopy,
Faraday Discuss. Chem. Soc., 1972, 54, 26. [all data]
Neskovic, Miletic, et al., 1983
Neskovic, O.; Miletic, M.; Veljkovic, M.; Golobocantin, D.; Zmbov, K.F.,
Ionization and fragmentation of phosphorous oxyfluoride by electron impact,
Int. J. Mass Spectrom. Ion Processes, 1983, 47, 141. [all data]
Shimanouchi, 1972
Shimanouchi, T.,
Tables of Molecular Vibrational Frequencies Consolidated Volume II,
J. Phys. Chem. Ref. Data, 1972, 6, 3, 993-1102. [all data]
Notes
Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
AE Appearance energy EA Electron affinity - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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