Phosphorus trifluoride
- Formula: F3P
- Molecular weight: 87.968972
- IUPAC Standard InChIKey: WKFBZNUBXWCCHG-UHFFFAOYSA-N
- CAS Registry Number: 7783-55-3
- 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: PF3; Phosphorus(III) fluoride; Phosphorous-trifluoride-; Phosphorus fluoride; Phosphorous fluoride; TL 75; Trifluorophosphine
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Gas phase ion energetics data
Go To: Top, Ion clustering data, Mass spectrum (electron ionization), References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias
Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
View reactions leading to F3P+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 11.38 ± 0.10 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 695.3 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 662.8 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
11.38 ± 0.01 | PIPECO | Ruede, Troxler, et al., 1993 | LL |
≤11.44 | PI | Berkowitz, Greene, et al., 1984 | LBLHLM |
11.51 | EI | Neskovic, Miletic, et al., 1983 | LBLHLM |
11.65 | EI | Baldwin, Loudon, et al., 1977 | LLK |
11.65 ± 0.07 | EI | Torgerson and Westmore, 1975 | LLK |
11.4 ± 0.2 | EI | Harland, Rankin, et al., 1974 | LLK |
11.5 ± 0.1 | PI | Harland, Rankin, et al., 1974 | LLK |
11.6 ± 0.1 | EI | Dean, Finch, et al., 1974 | LLK |
11.57 ± 0.01 | PE | Maier and Turner, 1972 | LLK |
11.66 ± 0.01 | PE | Basset and Lloyd, 1972 | LLK |
11.56 | PE | Muller, Fenderl, et al., 1971 | LLK |
11.7 ± 0.1 | EI | Muller and Fenderl, 1971 | LLK |
9.71 | PI | Price and Passmore, 1963 | RDSH |
12.20 | PE | Yarbrough and Hall, 1978 | Vertical value; LLK |
12.28 | PE | Daamen, Boxhoorn, et al., 1978 | Vertical value; LLK |
12.23 ± 0.02 | PE | Cradock and Rankin, 1972 | Vertical value; LLK |
12.28 | PE | Potts, Lempka, et al., 1970 | Vertical value; RDSH |
12.3 | PE | Hillier, Marriott, et al., 1970 | Vertical value; RDSH |
12.31 | PE | Green, King, et al., 1970 | Vertical value; RDSH |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
FP+ | 20.5 ± 0.2 | F2 | EI | Torgerson and Westmore, 1975 | LLK |
FP+ | 21.0 ± 0.3 | 2F | EI | Harland, Rankin, et al., 1974 | LLK |
F2P+ | 14.27 ± 0.02 | F | PIPECO | Ruede, Troxler, et al., 1993 | LL |
F2P+ | 14.55 ± 0.01 | F | PI | Berkowitz, Greene, et al., 1984 | LBLHLM |
F2P+ | 15.42 | F | EI | Neskovic, Miletic, et al., 1983 | LBLHLM |
F2P+ | 15.5 ± 0.2 | F | EI | Torgerson and Westmore, 1975 | LLK |
F2P+ | 13.5 ± 0.1 | F | EI | Dean, Finch, et al., 1974 | LLK |
Ion clustering data
Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), 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:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.
Clustering reactions
By formula: CN- + F3P = (CN- • F3P)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 64.0 ± 4.2 | kJ/mol | IMRE | Larson, Szulejko, et al., 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 130. | J/mol*K | N/A | Larson, Szulejko, et al., 1988 | gas phase; switching reaction,Thermochemical ladder(CN-)H2O, Entropy change calculated or estimated; Payzant, Yamdagni, et al., 1971; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 26.8 ± 2.1 | kJ/mol | IMRE | Larson, Szulejko, et al., 1988 | gas phase; B,M |
By formula: Cl- + F3P = (Cl- • F3P)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 64.9 ± 8.4 | kJ/mol | IMRE | Larson and McMahon, 1985 | gas phase; B |
ΔrH° | 64.9 | kJ/mol | ICR | Larson and McMahon, 1984 | gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 87.9 | J/mol*K | N/A | Larson and McMahon, 1984 | gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 38. ± 8.4 | kJ/mol | IMRE | Larson and McMahon, 1985 | gas phase; B |
ΔrG° | 38. | kJ/mol | ICR | Larson and McMahon, 1984 | gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M |
By formula: F- + F3P = (F- • F3P)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 168. | kJ/mol | ICR | Larson and McMahon, 1985 | gas phase; switching reaction,Thermochemical ladder(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M |
ΔrH° | 168. ± 8.4 | kJ/mol | IMRE | Larson and McMahon, 1983 | gas phase; These relative affinities are ca. 10 kcal/mol weaker than threshold values (see Wenthold and Squires, 1995) for donors greater than ca. 27 kcal/mol in free energy. This discrepancy has not yet been resolved, though the stronger value appears preferable.; B,M |
ΔrH° | 209. ± 21. | kJ/mol | IMRB | Sullivan and Beauchamp, 1978 | gas phase; Fluoride Affinity: < OPF3, > F, SF4, Me3SiF, HCN, SO2; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 100. | J/mol*K | N/A | Larson and McMahon, 1985 | gas phase; switching reaction,Thermochemical ladder(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M |
ΔrS° | 107. | J/mol*K | N/A | Larson and McMahon, 1983 | gas phase; switching reaction(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 136. | kJ/mol | ICR | Larson and McMahon, 1985 | gas phase; switching reaction,Thermochemical ladder(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M |
ΔrG° | 136. ± 8.4 | kJ/mol | IMRE | Larson and McMahon, 1983 | gas phase; These relative affinities are ca. 10 kcal/mol weaker than threshold values (see Wenthold and Squires, 1995) for donors greater than ca. 27 kcal/mol in free energy. This discrepancy has not yet been resolved, though the stronger value appears preferable.; B,M |
Mass spectrum (electron ionization)
Go To: Top, Gas phase ion energetics data, Ion clustering 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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Due to licensing restrictions, this spectrum cannot be downloaded.
Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | CBDCOM/ERDEC, Edgewood, MD |
NIST MS number | 226492 |
References
Go To: Top, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G.,
Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018
. [all data]
Ruede, Troxler, et al., 1993
Ruede, R.; Troxler, H.; Beglinger, C.; Jungen, M.,
The dissociation energies of the positive ions NH3+, NF3+, PH3+, PF3+ and PCl3+,
Chem. Phys. Lett., 1993, 203, 477. [all data]
Berkowitz, Greene, et al., 1984
Berkowitz, J.; Greene, J.P.; Foropoulos, J., Jr.; Neskovic, O.M.,
Bonding and ionization energies of N-F and P-F compounds,
J. Chem. Phys., 1984, 81, 6166. [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]
Baldwin, Loudon, et al., 1977
Baldwin, M.A.; Loudon, A.G.; Dunmur, R.E.; Schmutzler, R.; Gregor, I.K.,
Charge location and fragmentation under electron impact. IV-The behaviour under electron impact of some N-methyl, N'-R-1,2,4-phosphadiazetidine-3-ones and related compounds,
Org. Mass Spectrom., 1977, 12, 275. [all data]
Torgerson and Westmore, 1975
Torgerson, D.F.; Westmore, J.B.,
Energetics of the ionization and fragmentation of phosphorus trifluoride by electron impact,
Can. J. Chem., 1975, 53, 933. [all data]
Harland, Rankin, et al., 1974
Harland, P.W.; Rankin, D.W.H.; Thynne, J.C.J.,
Ionisation by electron impact of phosphorus trifluoride and difluorocyanophosphine,
Int. J. Mass Spectrom. Ion Phys., 1974, 13, 395. [all data]
Dean, Finch, et al., 1974
Dean, C.R.S.; Finch, A.; Gardner, P.J.; Payling, D.W.,
Appearance and ionization potentials of ions produced by electron-impact on some phosphorus-fluorine compounds: the phosphorusphorus bond dissociation energy in diphosphorus tetrafluoride,
J. Chem. Soc. Faraday Trans. 1, 1974, 70, 1921. [all data]
Maier and Turner, 1972
Maier, J.P.; Turner, D.W.,
Photoelectron spectroscopy and the geometry of the phosphine and phosphorous trifluoride molecular ions,
J. Chem. Soc. Faraday Trans. 2, 1972, 68, 711. [all data]
Basset and Lloyd, 1972
Basset, P.J.; Lloyd, D.R.,
Photoelectron spectra of halides. Part III. Trifluorides and oxide trifluorides of nitrogen and phosphorus, and phosphorus oxide trichloride,
J. Chem. Soc. Dalton Trans., 1972, 248. [all data]
Muller, Fenderl, et al., 1971
Muller, J.; Fenderl, K.; Mertschenk, B.,
Die Donor-Akzeptor-Eigenschaften des Liganden Trifluorphosphin in Ubergangsmetallkomplexen,
Chem. Ber., 1971, 104, 700. [all data]
Muller and Fenderl, 1971
Muller, J.; Fenderl, K.,
Reaktionen des π-Cyclopentadienyl-Mangantricarbonyl-Kations mit einfachen Fluorverbindungen in der gasphase,
Chem. Ber., 1971, 104, 2207. [all data]
Price and Passmore, 1963
Price, W.C.; Passmore, T.R.,
[Title unavailable],
Faraday Discuss. Chem. Soc., 1963, 35, 232. [all data]
Yarbrough and Hall, 1978
Yarbrough, L.W., II; Hall, M.B.,
Photoelectron spectra of substituted chromium, molybdenum, and tungsten pentacarbonyls. Relative π-acceptor and σ-donor properties of various phosphorus ligands,
Inorg. Chem., 1978, 17, 2269. [all data]
Daamen, Boxhoorn, et al., 1978
Daamen, H.; Boxhoorn, G.; Oskam, A.,
U. V. photoelectron (He I and He II) studies of M(CO)5PX3 (M=Cr, Mo, W and X=F, Cl, Br),
Inorg. Chim. Acta, 1978, 28, 263. [all data]
Cradock and Rankin, 1972
Cradock, S.; Rankin, D.W.H.,
Photoelectron spectra of PF2H some substituted difluorophosphines,
J. Chem. Soc. Faraday Trans. 2, 1972, 68, 940. [all data]
Potts, Lempka, et al., 1970
Potts, A.W.; Lempka, H.J.; Streets, D.G.; Price, W.C.,
Photoelectron spectra of the halides of elements in groups III, IV, V and VI,
Phil. Trans. Roy. Soc. (London), 1970, A268, 59. [all data]
Hillier, Marriott, et al., 1970
Hillier, I.H.; Marriott, J.C.; Saunders, V.R.; Ware, M.J.; Lloyd, D.R.; Lynaugh, N.,
A theoretical and experimental study of the bonding in PF3.BH3,
Chem. Commun., 1970, 1586. [all data]
Green, King, et al., 1970
Green, J.C.; King, D.I.; Eland, J.H.D.,
Photoelectron spectra of trifluorophosphine and its complexes Ni(PF3), and Pt(PF3)4,
Chem. Commun., 1970, 1121. [all data]
Larson, Szulejko, et al., 1988
Larson, J.W.; Szulejko, J.E.; McMahon, T.B.,
Gas Phase Lewis Acid-Base Interactions. An Experimental Determination of Cyanide Binding Energies From Ion Cyclotron Resonance and High-Pressure Mass Spectrometric Equilibrium Measurements.,
J. Am. Chem. Soc., 1988, 110, 23, 7604, https://doi.org/10.1021/ja00231a004
. [all data]
Payzant, Yamdagni, et al., 1971
Payzant, J.D.; Yamdagni, R.; Kebarle, P.,
Hydration of CN-, NO2-, NO3-, and HO- in the gas phase,
Can. J. Chem., 1971, 49, 3308. [all data]
Larson and McMahon, 1985
Larson, J.W.; McMahon, T.B.,
Fluoride and chloride affinities of the main group oxides, fluorides, oxofluorides, and alkyls. Quantitative scales of lewis acidities from ICR halide exchange equilibria,
J. Am. Chem. Soc., 1985, 107, 766. [all data]
Larson and McMahon, 1984
Larson, J.W.; McMahon, T.B.,
Gas phase negative ion chemistry of alkylchloroformates,
Can. J. Chem., 1984, 62, 675. [all data]
French, Ikuta, et al., 1982
French, M.A.; Ikuta, S.; Kebarle, P.,
Hydrogen bonding of O-H and C-H hydrogen donors to Cl-. Results from mass spectrometric measurement of the ion-molecule equilibria RH + Cl- = RHCl-,
Can. J. Chem., 1982, 60, 1907. [all data]
Arshadi, Yamdagni, et al., 1970
Arshadi, M.; Yamdagni, R.; Kebarle, P.,
Hydration of Halide Negative Ions in the Gas Phase. II. Comparison of Hydration Energies for the Alkali Positive and Halide Negative Ions,
J. Phys. Chem., 1970, 74, 7, 1475, https://doi.org/10.1021/j100702a014
. [all data]
Larson and McMahon, 1983
Larson, J.W.; McMahon, T.B.,
Strong hydrogen bonding in gas-phase anions. An ion cyclotron resonance determination of fluoride binding energetics to bronsted acids from gas-phase fluoride exchange equilibria measurements,
J. Am. Chem. Soc., 1983, 105, 2944. [all data]
Wenthold and Squires, 1995
Wenthold, P.G.; Squires, R.R.,
Bond dissociation energies of F2(-) and HF2(-). A gas-phase experimental and G2 theoretical study,
J. Phys. Chem., 1995, 99, 7, 2002, https://doi.org/10.1021/j100007a034
. [all data]
Sullivan and Beauchamp, 1978
Sullivan, S.A.; Beauchamp, J.L.,
Nucleophilic Reactions of Anions with PF3 and OPF3 in the Gas Phase by ICR Spectroscopy,
Inorg. Chem., 1978, 17, 6, 1589, https://doi.org/10.1021/ic50184a039
. [all data]
Notes
Go To: Top, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), References
- Symbols used in this document:
AE Appearance energy IE (evaluated) Recommended ionization energy ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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