Phosphine
- Formula: H3P
- Molecular weight: 33.99758
- IUPAC Standard InChIKey: XYFCBTPGUUZFHI-UHFFFAOYSA-N
- CAS Registry Number: 7803-51-2
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Trihydrogen phosphide; Hydrogen phosphide; Phosphorus trihydride; PH3; Phosphene; Phosphorus hydride; Fosforowodor; Gas-ex-B; Phosphorwasserstoff; Rcra waste number P096; UN 2199
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Gas phase thermochemistry data
Go To: Top, Gas phase ion energetics data, 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.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | 5.47 | kJ/mol | Review | Chase, 1998 | Data last reviewed in June, 1962 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 210.24 | J/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1962 |
Gas Phase Heat Capacity (Shomate Equation)
Cp° = A + B*t + C*t2 + D*t3 +
E/t2
H° − H°298.15= A*t + B*t2/2 +
C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 −
E/(2*t2) + G
Cp = heat capacity (J/mol*K)
H° = standard enthalpy (kJ/mol)
S° = standard entropy (J/mol*K)
t = temperature (K) / 1000.
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | 298. to 1200. | 1200. to 6000. |
---|---|---|
A | 11.90009 | 74.33713 |
B | 84.46701 | 4.659763 |
C | -38.04294 | -0.905288 |
D | 5.695428 | 0.060778 |
E | 0.289233 | -14.84433 |
F | 16.87884 | -31.67367 |
G | 202.7286 | 258.3582 |
H | 5.469890 | 5.469890 |
Reference | Chase, 1998 | Chase, 1998 |
Comment | Data last reviewed in June, 1962 | Data last reviewed in June, 1962 |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, 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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias
Data compiled as indicated in comments:
B - John E. Bartmess
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 H3P+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 9.869 ± 0.002 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 785. | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 750.9 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
9.87 ± 0.01 | PIPECO | Ruede, Troxler, et al., 1993 | LL |
9.870 ± 0.002 | PI | Berkowitz, Curtiss, et al., 1986 | LBLHLM |
9.868 ± 0.005 | PE | Maripuu, Reineck, et al., 1983 | LBLHLM |
9.96 | PE | Hodges, McDonnell, et al., 1980 | LLK |
10.0 | EI | Morrison and Traeger, 1973 | LLK |
9.96 | PE | Potts and Price, 1972 | LLK |
9.96 ± 0.01 | PE | Maier and Turner, 1972 | LLK |
10.13 ± 0.02 | PE | Branton, Frost, et al., 1970 | RDSH |
9.97 ± 0.02 | EI | McAllister and Lossing, 1969 | RDSH |
10.28 | PE | Frost, McDowell, et al., 1968 | RDSH |
10.05 ± 0.05 | EI | Fehlner and Callen, 1968 | RDSH |
10.10 | EI | Halmann and Platzner, 1967 | RDSH |
10.30 ± 0.10 | EI | Halmann and Platzner, 1967 | RDSH |
9.98 | PI | Price and Passmore, 1963 | RDSH |
10.59 | PE | Cowley, Kemp, et al., 1982 | Vertical value; LBLHLM |
10.59 ± 0.05 | PE | Demuth, 1977 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
HP+ | 12.31 ± 0.01 | H2 | PIPECO | Ruede, Troxler, et al., 1993 | LL |
HP+ | 12.451 ± 0.005 | H2 | PI | Berkowitz, Curtiss, et al., 1986 | LBLHLM |
HP+ | 12.491 ± 0.005 | H2 | PI | Berkowitz, Curtiss, et al., 1986 | T = 0K; LBLHLM |
HP+ | 12.9 | H2 | EI | Morrison and Traeger, 1973 | LLK |
PH+ | 12.6 ± 0.2 | H2 | EI | Fehlner and Callen, 1968 | RDSH |
PH+ | 12.4 ± 0.2 | H2 | EI | Saalfeld and Svec, 1963 | RDSH |
H2P+ | 13.2 ± 0.1 | H | PIPECO | Ruede, Troxler, et al., 1993 | LL |
H2P+ | 13.36 ± 0.02 | H | PI | Berkowitz, Curtiss, et al., 1986 | LBLHLM |
H2P+ | 13.40 ± 0.02 | H | PI | Berkowitz, Curtiss, et al., 1986 | T = 0K; LBLHLM |
H2P+ | 13.4 | H | EI | Morrison and Traeger, 1973 | LLK |
PH2+ | 13.47 ± 0.05 | H | EI | McAllister and Lossing, 1969 | RDSH |
PH2+ | 13.6 | H | EI | McAllister and Lossing, 1969 | RDSH |
PH2+ | 13.2 ± 0.2 | H | EI | Fehlner and Callen, 1968 | RDSH |
PH2+ | 13.2 ± 0.2 | H | EI | Saalfeld and Svec, 1964 | RDSH |
P+ | 16.3 ± 0.1 | H2+H | PIPECO | Ruede, Troxler, et al., 1993 | LL |
P+ | 16.3 | H2+H | EI | Morrison and Traeger, 1973 | LLK |
P+ | 16.3 | H2+H | PI | Morrison and Traeger, 1973 | LLK |
P+ | 15.9 | H2+H | EI | Fehlner and Callen, 1968 | RDSH |
De-protonation reactions
H2P- + =
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1522. ± 6.3 | kJ/mol | D-EA | Ervin and Lineberger, 2005 | gas phase; High level calcns( Curtiss, Raghavachari, et al., 1991, Ricca and Bauschlicher, 1998) give DH ca. 84; B |
ΔrH° | 1551. ± 8.8 | kJ/mol | G+TS | Bartmess, Scott, et al., 1979 | gas phase; The D-EA cycle does not close by 7 kcal/mol. The reason for this discrepancy is not known; value altered from reference due to change in acidity scale; B |
ΔrH° | 1524. ± 19. | kJ/mol | EIAE | Halmann and Platzner, 1969 | gas phase; B |
ΔrH° | <1534. ± 19. | kJ/mol | EIAE | Ebinghaus, Kraus, et al., 1964 | gas phase; B |
ΔrH° | 1529.7 | kJ/mol | N/A | Check, Faust, et al., 2001 | gas phase; MnF5-(q); ; ΔS(EA)=2.9; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1491. ± 6.7 | kJ/mol | H-TS | Ervin and Lineberger, 2005 | gas phase; High level calcns( Curtiss, Raghavachari, et al., 1991, Ricca and Bauschlicher, 1998) give DH ca. 84; B |
ΔrG° | 1520. ± 8.4 | kJ/mol | IMRE | Bartmess, Scott, et al., 1979 | gas phase; The D-EA cycle does not close by 7 kcal/mol. The reason for this discrepancy is not known; value altered from reference due to change in acidity scale; B |
ΔrG° | 1500.8 | kJ/mol | N/A | Check, Faust, et al., 2001 | gas phase; MnF5-(q); ; ΔS(EA)=2.9; B |
Vibrational and/or electronic energy levels
Go To: Top, Gas phase thermochemistry data, 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: C3ν Symmetry Number σ = 3
Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
---|---|---|---|---|---|---|---|---|---|---|
Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
a1 | 1 | Sym str | 2323 | A | 2322.9 | gas | 2306 | liq. | ||
a1 | 2 | Sym deform | 992 | B | 992.1 | gas | 979 | liq. | ||
e | 3 | Deg str | 2328 | B | 2327.7 | gas | ||||
e | 4 | Deg deform | 1118 | A | 1118.3 | gas | 1115 | liq. | ||
Source: Shimanouchi, 1972
Notes
A | 0~1 cm-1 uncertainty |
B | 1~3 cm-1 uncertainty |
References
Go To: Top, Gas phase thermochemistry data, 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.
Chase, 1998
Chase, M.W., Jr.,
NIST-JANAF Themochemical Tables, Fourth Edition,
J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]
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, Curtiss, et al., 1986
Berkowitz, J.; Curtiss, L.; Gibson, S.; Greene, J.; Hillhouse, G.; Pople, J.,
Photoionization mass spectrometric study and Ab initio calculation of ionization and bonding in P-H compounds. Heats of formation, bond energies, and the 3B1-1A1 separation in PH2+,
J. Chem. Phys., 1986, 84, 375. [all data]
Maripuu, Reineck, et al., 1983
Maripuu, R.; Reineck, I.; Agren, H.; Nian-Zu, W.; Rong, J.; Veenhuizen, H.; Al-Shamma, S.; Karlsson, L.; Siegbahn, K.,
The HeI excited electron spectrum of phosphine. An experimental and theoretical study,
Mol. Phys., 1983, 48, 1255. [all data]
Hodges, McDonnell, et al., 1980
Hodges, R.V.; McDonnell, T.J.; Beauchamp, J.L.,
Properties reactions of trimethyl phosphite, trimethyl phosphate, triethyl phosphate, and trimethyl phosphorothionate by ion cyclotron resonance spectroscopy,
J. Am. Chem. Soc., 1980, 102, 1327. [all data]
Morrison and Traeger, 1973
Morrison, J.D.; Traeger, J.C.,
Ionization and dissociation by electron impact. II. NH3 and PH3,
Int. J. Mass Spectrom. Ion Phys., 1973, 11, 277. [all data]
Potts and Price, 1972
Potts, A.W.; Price, W.C.,
Photoelectron spectra and valence shell orbital structures of groups V VI hydrides,
Proc. R. Soc. London A:, 1972, 326, 181. [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]
Branton, Frost, et al., 1970
Branton, G.R.; Frost, D.C.; McDowell, C.A.; Stenhouse, I.A.,
The photoelectron spectra of phosphine and arsine,
Chem. Phys. Lett., 1970, 5, 1. [all data]
McAllister and Lossing, 1969
McAllister, T.; Lossing, F.P.,
Free radicals by mass spectrometry. XLI. Ionization potential and heat of formation of PH2 radical,
J. Phys. Chem., 1969, 73, 2996. [all data]
Frost, McDowell, et al., 1968
Frost, D.C.; McDowell, C.A.; Sandhu, J.S.; Vroom, D.A.,
584 A photo-electron spectra of Hg, NH3, PH3, and SF6,
Advan. Mass Spectrom., 1968, 4, 781. [all data]
Fehlner and Callen, 1968
Fehlner, T.P.; Callen, R.B.,
Mass spectrometry of phosphorus hydrides,
Advan. Chem. Ser., 1968, 72, 181. [all data]
Halmann and Platzner, 1967
Halmann, M.; Platzner, I.,
Ion-molecule reactions of phosphine in the mass spectrometer,
J. Phys. Chem., 1967, 71, 4522. [all data]
Price and Passmore, 1963
Price, W.C.; Passmore, T.R.,
[Title unavailable],
Faraday Discuss. Chem. Soc., 1963, 35, 232. [all data]
Cowley, Kemp, et al., 1982
Cowley, A.H.; Kemp, R.A.; Lattman, M.; McKee, M.L.,
Lewis base behavior of methylated and fluorinated phosphines. A photoelectron spectroscopic investigation,
Inorg. Chem., 1982, 21, 85. [all data]
Demuth, 1977
Demuth, R.,
Photoelektronenspektren von einigen Trihalogensilylphosphanen und -arsanen X3SiER2 (X = F, Cl; E = N, P, As; R = H, CH3),
Z. Naturforsch. B:, 1977, 32, 1252. [all data]
Saalfeld and Svec, 1963
Saalfeld, F.E.; Svec, H.J.,
The mass spectra of volatile hydrides. I. The monoelemental hydrides of the group IVB and VB elements,
Inorg. Chem., 1963, 2, 46. [all data]
Saalfeld and Svec, 1964
Saalfeld, F.E.; Svec, H.J.,
Mass spectra of volatile hydrides. III. Silylphosphine,
Inorg. Chem., 1964, 3, 1442. [all data]
Ervin and Lineberger, 2005
Ervin, K.M.; Lineberger, W.C.,
Photoelectron spectroscopy of phosphorus hydride anions,
J. Chem. Phys., 2005, 122, 19, 194303, https://doi.org/10.1063/1.1881153
. [all data]
Curtiss, Raghavachari, et al., 1991
Curtiss, L.A.; Raghavachari, K.; Trucks, G.W.; Pople, J.A.,
Gaussian-2 Theory for Molecular Energies of First- and Second-row Compounds,
J. Chem. Phys., 1991, 94, 11, 7221, https://doi.org/10.1063/1.460205
. [all data]
Ricca and Bauschlicher, 1998
Ricca, A.; Bauschlicher, C.W., Jr.,
Accurate Heats of Formation for PHn, PHn+, and PHn-,
Chem. Phys. Lett., 1998, 285, 5-6, 455, https://doi.org/10.1016/S0009-2614(97)01468-1
. [all data]
Bartmess, Scott, et al., 1979
Bartmess, J.E.; Scott, J.A.; McIver, R.T., Jr.,
The gas phase acidity scale from methanol to phenol,
J. Am. Chem. Soc., 1979, 101, 6047. [all data]
Halmann and Platzner, 1969
Halmann, M.; Platzner, I.,
Negative Ions Produced by Electron Capture in Phosphine,
J. Phys. Chem., 1969, 73, 12, 4376, https://doi.org/10.1021/j100846a062
. [all data]
Ebinghaus, Kraus, et al., 1964
Ebinghaus, H.; Kraus, K.; Neuert, H.; Muller-Duysing, W.,
Negative Ionen durch Elecktronenresonanzeinfang in PH3, AsH3, und SiH4,
Z. Naturfor., 1964, 19A, 732. [all data]
Check, Faust, et al., 2001
Check, C.E.; Faust, T.O.; Bailey, J.M.; Wright, B.J.; Gilbert, T.M.; Sunderlin, L.S.,
Addition of Polarization and Diffuse Functions to the LANL2DZ Basis Set for P-Block Elements,
J. Phys. Chem. A,, 2001, 105, 34, 8111, https://doi.org/10.1021/jp011945l
. [all data]
Shimanouchi, 1972
Shimanouchi, T.,
Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
AE Appearance energy IE (evaluated) Recommended ionization energy S°gas,1 bar Entropy of gas at standard conditions (1 bar) ΔfH°gas Enthalpy of formation of gas at standard conditions ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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