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
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Gas phase thermochemistry data
  • Reaction thermochemistry data
  • IR Spectrum
  • References
  • Notes
• Other data available:
  • Phase change data
  • Henry's Law data
  • Gas phase ion energetics data
  • Ion clustering data
  • Mass spectrum (electron ionization)
  • Vibrational and/or electronic energy levels
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
• Options:
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Gas phase thermochemistry data

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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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Reaction thermochemistry data

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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. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

H₂P^- +  =

By formula: H₂P^- + H⁺ = H₃P

(H₄P⁺ • 4) +  = (H₄P⁺ • 5)

By formula: (H₄P⁺ • 4H₃P) + H₃P = (H₄P⁺ • 5H₃P)

Bond type: Hydrogen bond (positive ion to hydride)

(H₄P⁺ • 2) +  = (H₄P⁺ • 3)

By formula: (H₄P⁺ • 2H₃P) + H₃P = (H₄P⁺ • 3H₃P)

Bond type: Hydrogen bond (positive ion to hydride)

(H₄P⁺ • 3) +  = (H₄P⁺ • 4)

By formula: (H₄P⁺ • 3H₃P) + H₃P = (H₄P⁺ • 4H₃P)

Bond type: Hydrogen bond (positive ion to hydride)

(H₄P⁺ • ) +  = (H₄P⁺ • 2)

By formula: (H₄P⁺ • H₃P) + H₃P = (H₄P⁺ • 2H₃P)

Bond type: Hydrogen bond (positive ion to hydride)

H₄P⁺ +  = (H₄P⁺ • )

By formula: H₄P⁺ + H₃P = (H₄P⁺ • H₃P)

Bond type: Hydrogen bond (positive ion to hydride)

H₆P₃⁺ +  = (H₆P₃⁺ • )

By formula: H₆P₃⁺ + H₃P = (H₆P₃⁺ • H₃P)

H₅P₂⁺ +  = (H₅P₂⁺ • )

By formula: H₅P₂⁺ + H₃P = (H₅P₂⁺ • H₃P)

IR Spectrum

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Coblentz Society, Inc.

Spectrum

A digitized version of this spectrum is not currently available.

Additional Data

References

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, IR Spectrum, 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]

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]

Long and Franklin, 1974
Long, J.W.; Franklin, J.L., Ion - Solvation Reactions of Phosphine, J. Am. Chem. Soc., 1974, 96, 8, 2320, https://doi.org/10.1021/ja00815a003 . [all data]

Notes

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, IR Spectrum, References

• Symbols used in this document:
  

  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
  ΔrS°	Entropy of reaction at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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