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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
Deltafgas5.47kJ/molReviewChase, 1998Data last reviewed in June, 1962
Quantity Value Units Method Reference Comment
gas,1 bar210.24J/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 (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 298. - 1200.1200. - 6000.
A 11.9000974.33713
B 84.467014.659763
C -38.04294-0.905288
D 5.6954280.060778
E 0.289233-14.84433
F 16.87884-31.67367
G 202.7286258.3582
H 5.4698905.469890
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in June, 1962 Data last reviewed in June, 1962

Phase change 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Kenneth Kroenlein director
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Ttriple139.41KN/AClusius and Weigand, 1940Uncertainty assigned by TRC = 0.2 K; see property X for dP/dT for c-l equil.; TRC

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Reference Comment
14.6 ± 0.1186.Frank and Clusius, 1939AC
14.6185.Stephenson and Giauque, 1937AC

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (bar)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
143.8 - 185.74.02591702.651-11.065Stull, 1947Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

DeltasubH (kJ/mol) Temperature (K) Method Reference Comment
17.2129. - 140.MMStephenson and Giauque, 1937AC

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


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- + Hydrogen cation = Phosphine

By formula: H2P- + H+ = H3P

Quantity Value Units Method Reference Comment
Deltar1522. ± 6.3kJ/molD-EAErvin and Lineberger, 2005gas phase; High level calcns( Curtiss, Raghavachari, et al., 1991, Ricca and Bauschlicher, 1998) give DH ca. 84; B
Deltar1551. ± 8.8kJ/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
Deltar1524. ± 19.kJ/molEIAEHalmann and Platzner, 1969gas phase; B
Deltar<1534. ± 19.kJ/molEIAEEbinghaus, Kraus, et al., 1964gas phase; B
Deltar1529.7kJ/molN/ACheck, Faust, et al., 2001gas phase; MnF5-(q); ; «DELTA»S(EA)=2.9; B
Quantity Value Units Method Reference Comment
Deltar1491. ± 6.7kJ/molH-TSErvin and Lineberger, 2005gas phase; High level calcns( Curtiss, Raghavachari, et al., 1991, Ricca and Bauschlicher, 1998) give DH ca. 84; B
Deltar1520. ± 8.4kJ/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
Deltar1500.8kJ/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
Deltar23.kJ/molDTLong and Franklin, 1974gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar55.2J/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
Deltar31.kJ/molDTLong and Franklin, 1974gas phase; M
Quantity Value Units Method Reference Comment
Deltar77.0J/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
Deltar27.kJ/molDTLong and Franklin, 1974gas phase; M
Quantity Value Units Method Reference Comment
Deltar62.8J/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
Deltar38.kJ/molDTLong and Franklin, 1974gas phase; M
Quantity Value Units Method Reference Comment
Deltar93.3J/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
Deltar48.1kJ/molDTLong and Franklin, 1974gas phase; M
Quantity Value Units Method Reference Comment
Deltar108.J/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
Deltar45.2kJ/molDTLong and Franklin, 1974gas phase; M
Quantity Value Units Method Reference Comment
Deltar140.J/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
Deltar40.kJ/molDTLong and Franklin, 1974gas phase; M
Quantity Value Units Method Reference Comment
Deltar84.J/mol*KDTLong and Franklin, 1974gas phase; M

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

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Additional Data

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Owner COBLENTZ SOCIETY
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Source reference COBLENTZ NO. 10498
Date Not specified, most likely prior to 1982
Instrument Not specified, most likely a prism, grating, or hybrid spectrometer.
Data processing (NO SPECTRUM, ONLY SCANNED IMAGE IS AVAILABLE)

This IR spectrum is from the Coblentz Society's evaluated infrared reference spectra collection.


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, 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 compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Mass spectrum
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Additional Data

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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.
NIST MS number 42

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Vibrational and/or electronic energy levels

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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: Takehiko Shimanouchi

Symmetry:   C3nu     Symmetry Number sigma = 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

A0~1 cm-1 uncertainty
B1~3 cm-1 uncertainty

References

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), 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]

Clusius and Weigand, 1940
Clusius, K.; Weigand, K., Melting Curves of the Gases A, Kr, Xe, CH4, CH3D, CD4, C2H4, C2H6, COS, and PH3 to 200 Atmospheres Pressure. The Chane of Volume on Melting, Z. Phys. Chem., Abt. B, 1940, 46, 1-37. [all data]

Frank and Clusius, 1939
Frank, A.; Clusius, K., Z. Phys. Chem. Abt. B, 1939, 42, 395. [all data]

Stephenson and Giauque, 1937
Stephenson, C.C.; Giauque, W.F., A Test of the Third Law of Thermodynamics by Means of Two Crystalline Forms of Phosphine. The Heat Capacity, Heat of Vaporization and Vapor Pressure of Phosphine. Entropy of the Gas, J. Chem. Phys., 1937, 5, 2, 149, https://doi.org/10.1063/1.1749994 . [all data]

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [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]

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, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, References