Phosphine

• Formula: H₃P
• Molecular weight: 33.99758
• IUPAC Standard InChI: InChI=1S/H3P/h1H3 Copy

  
• IUPAC Standard InChIKey: XYFCBTPGUUZFHI-UHFFFAOYSA-N Copy
• 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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• Information on this page:
  • Gas phase thermochemistry data
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Phase change data
  • Reaction thermochemistry data
  • Henry's Law data
  • Ion clustering data
  • IR Spectrum
  • Vibrational and/or electronic energy levels
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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• NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)

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Gas phase thermochemistry 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.

Gas Phase Heat Capacity (Shomate Equation)

C_p° = 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
    C_p = heat capacity (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

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Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry 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:
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)

Ionization energy determinations

Appearance energy determinations

De-protonation reactions

H₂P^- +  =

By formula: H₂P^- + H⁺ = H₃P

Mass spectrum (electron ionization)

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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

References

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics 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.

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]

Notes

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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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