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Phosphine

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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.

Quantity Value Units Method Reference Comment
Deltafgas1.31kcal/molReviewChase, 1998Data last reviewed in June, 1962
Quantity Value Units Method Reference Comment
gas,1 bar50.249cal/mol*KReviewChase, 1998Data 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 (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 298. - 1200.1200. - 6000.
A 2.84419017.76700
B 20.188101.113711
C -9.092481-0.216369
D 1.3612400.014526
E 0.069128-3.547881
F 4.034140-7.570189
G 48.4533061.74909
H 1.3073361.307336
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in June, 1962 Data last reviewed in June, 1962

Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry 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 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- + Hydrogen cation = Phosphine

By formula: H2P- + H+ = H3P

Quantity Value Units Method Reference Comment
Deltar363.8 ± 1.5kcal/molD-EAErvin and Lineberger, 2005gas phase; High level calcns( Curtiss, Raghavachari, et al., 1991, Ricca and Bauschlicher, 1998) give DH ca. 84; B
Deltar370.8 ± 2.1kcal/molG+TSBartmess, Scott, et al., 1979gas 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
Deltar364.3 ± 4.6kcal/molEIAEHalmann and Platzner, 1969gas phase; B
Deltar<366.6 ± 4.6kcal/molEIAEEbinghaus, Kraus, et al., 1964gas phase; B
Deltar365.60kcal/molN/ACheck, Faust, et al., 2001gas phase; MnF5-(q); ; «DELTA»S(EA)=2.9; B
Quantity Value Units Method Reference Comment
Deltar356.4 ± 1.6kcal/molH-TSErvin and Lineberger, 2005gas phase; High level calcns( Curtiss, Raghavachari, et al., 1991, Ricca and Bauschlicher, 1998) give DH ca. 84; B
Deltar363.4 ± 2.0kcal/molIMREBartmess, Scott, et al., 1979gas 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
Deltar358.70kcal/molN/ACheck, Faust, et al., 2001gas phase; MnF5-(q); ; «DELTA»S(EA)=2.9; B

(H4P+ bullet 4Phosphine) + Phosphine = (H4P+ bullet 5Phosphine)

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar5.5kcal/molDTLong and Franklin, 1974gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar13.2cal/mol*KN/ALong and Franklin, 1974gas phase; Entropy change calculated or estimated; M

(H4P+ bullet 2Phosphine) + Phosphine = (H4P+ bullet 3Phosphine)

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar7.3kcal/molDTLong and Franklin, 1974gas phase; M
Quantity Value Units Method Reference Comment
Deltar18.4cal/mol*KDTLong and Franklin, 1974gas phase; M

(H4P+ bullet 3Phosphine) + Phosphine = (H4P+ bullet 4Phosphine)

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar6.5kcal/molDTLong and Franklin, 1974gas phase; M
Quantity Value Units Method Reference Comment
Deltar15.0cal/mol*KDTLong and Franklin, 1974gas phase; M

(H4P+ bullet Phosphine) + Phosphine = (H4P+ bullet 2Phosphine)

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar9.2kcal/molDTLong and Franklin, 1974gas phase; M
Quantity Value Units Method Reference Comment
Deltar22.3cal/mol*KDTLong and Franklin, 1974gas phase; M

H4P+ + Phosphine = (H4P+ bullet Phosphine)

By formula: H4P+ + H3P = (H4P+ bullet H3P)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar11.5kcal/molDTLong and Franklin, 1974gas phase; M
Quantity Value Units Method Reference Comment
Deltar25.9cal/mol*KDTLong and Franklin, 1974gas phase; M

H6P3+ + Phosphine = (H6P3+ bullet Phosphine)

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

Quantity Value Units Method Reference Comment
Deltar10.8kcal/molDTLong and Franklin, 1974gas phase; M
Quantity Value Units Method Reference Comment
Deltar34.cal/mol*KDTLong and Franklin, 1974gas phase; M

H5P2+ + Phosphine = (H5P2+ bullet Phosphine)

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

Quantity Value Units Method Reference Comment
Deltar9.kcal/molDTLong and Franklin, 1974gas phase; M
Quantity Value Units Method Reference Comment
Deltar20.cal/mol*KDTLong and Franklin, 1974gas phase; M

References

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