Phosphino radical

• Formula: H₂P
• Molecular weight: 32.98964
• IUPAC Standard InChI: InChI=1S/H2P/h1H2 Copy

  
• IUPAC Standard InChIKey: FVZVCSNXTFCBQU-UHFFFAOYSA-N Copy
• CAS Registry Number: 13765-43-0
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Information on this page:
  • Gas phase thermochemistry data
  • Reaction thermochemistry data
  • Gas phase ion energetics data
  • Vibrational and/or electronic energy levels
  • References
  • Notes
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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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 (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/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 by: John E. Bartmess

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

HP^- +  =

By formula: HP^- + H⁺ = H₂P

Gas phase ion energetics 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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to H₂P⁺ (ion structure unspecified)

Electron affinity determinations

Ionization energy determinations

De-protonation reactions

HP^- +  =

By formula: HP^- + H⁺ = H₂P

Vibrational and/or electronic energy levels

Go To: Top, Gas phase thermochemistry data, Reaction 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: Marilyn E. Jacox

State:   A

State:   X

Additional references: Jacox, 1994, page 22; Jacox, 1998, page 134; Jacox, 2003, page 19; Barrow, Dixon, et al., 1974; Davies, Russell, et al., 1976; Vervloet and Berthou, 1976; Huie, Long, et al., 1978; Sam and Yardley, 1978; Hills and McKellar, 1979; Birss, Lessard, et al., 1982; Endo, Saito, et al., 1983; Kajita, Endo, et al., 1987; Xuan and Margani, 1990; Hirao, Hayakashi, et al., 1998; Margules, Herbst, et al., 2002

Notes

References

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

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]

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]

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]

Zittel and Lineberger, 1976
Zittel, P.F.; Lineberger, W.C., Laser photoelectron spectrometry of PO-, PH-, and PH₂-, J. Chem. Phys., 1976, 65, 1236. [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]

Smyth and Brauman, 1972
Smyth, K.C.; Brauman, J.I., Photodetachment of electrons from phosphide ion the electron affinity of PH₂^-, J. Chem. Phys., 1972, 56, 1132. [all data]

Smyth, McIver, et al., 1971
Smyth, K.C.; McIver, R.T.; Brauman, J.I.; Wallace, R.W., Photodetachment of negative ions using a continuously tunable laser and an ICR spectrometer, J. Chem. Phys., 1971, 54, 2758. [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]

Page and Goode, 1969
Page, F.M.; Goode, G.C., Negative Ions and the Magnetron., Wiley, NY, 1969. [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]

Dyke, Jonathan, et al., 1982
Dyke, J.M.; Jonathan, N.; Morris, A., Recent progress in the study of transient species with vacuum ultraviolet photoelectron spectroscopy, Int. Rev. Phys. Chem., 1982, 2, 3. [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]

Ramsay, 1956
Ramsay, D.A., Absorption Spectra of Free PH2 and PD Radicals, Nature, 1956, 178, 4529, 374, https://doi.org/10.1038/178374a0 . [all data]

Guenebaut and Pascat, 1964
Guenebaut, H.; Pascat, B., Compt. Rend. Acad. Sci. (Paris), 1964, 259, 2412. [all data]

Guenebaut, Pascat, et al., 1965
Guenebaut, H.; Pascat, B.; Berthou, J.-M., J. Chim. Phys., 1965, 62, 867. [all data]

Dixon, Duxbury, et al., 1967
Dixon, R.N.; Duxbury, G.; Ramsay, D.A., Rotational Analysis of the 0-0 Band of the $^2$A$_1$-$^2$B$_1$ Electronic Transition of PH$_2$, Proc. Roy. Soc. (London) A296, 1967, 296, 1445, 137, https://doi.org/10.1098/rspa.1967.0011 . [all data]

Pascat, Berthou, et al., 1968
Pascat, B.; Berthou, J.M.; Prudhomme, J.C.; Guenebaut, H.; Ramsay, D.A., J. Chim. Phys., 1968, 65, 2022. [all data]

Berthou, Pascat, et al., 1972
Berthou, J.M.; Pascat, B.; Guenebaut, H.; Ramsay, D.A., Rotational Analysis of Bands of the Transition of PH, Can. J. Phys., 1972, 50, 19, 2265, https://doi.org/10.1139/p72-301 . [all data]

Chen, Zhang, et al., 1994
Chen, Y.; Zhang, Q.; Zhang, D.; Chen, C.; Yu, S.; Ma, X., Laser-induced fluorescence spectrum of PH2 cooled in a supersonic jet, Chem. Phys. Lett., 1994, 223, 1-2, 104, https://doi.org/10.1016/0009-2614(94)00405-6 . [all data]

Hirota and Kakimoto, 1995
Hirota, E.; Kakimoto, M., Doppler-limited dye laser excitation spectroscopy of the PH2 radical: the band, J. Mol. Struct., 1995, 352/353, 379, https://doi.org/10.1016/0022-2860(94)08513-H . [all data]

Jakubek, Bunker, et al., 2006
Jakubek, Z.J.; Bunker, P.R.; Zachwieja, M.; Nakhate, S.G.; Simard, B.; Yurchenko, S.N.; Thiel, W.; Jensen, P., A dispersed fluorescence and ab initio investigation of the X [sup 2]B[sub 1] and A [sup 2]A[sub 1] electronic states of the PH[sub 2] molecule, J. Chem. Phys., 2006, 124, 9, 094306, https://doi.org/10.1063/1.2168155 . [all data]

Larzilliere and Jacox, 1979
Larzilliere, M.; Jacox, M.E., Natl. Bur. Std. Spec. Pub., 1979, 561, 529. [all data]

Withnall, McCluskey, et al., 1989
Withnall, R.; McCluskey, M.; Andrews, L., Absorption spectra of the phosphorus oxide (PO2 and PO3) radicals in solid argon, J. Phys. Chem., 1989, 93, 1, 126, https://doi.org/10.1021/j100338a028 . [all data]

Abraham, Bekkaoui, et al., 1992
Abraham, P.; Bekkaoui, A.; Bouix, J.; Monteil, Y., Raman spectroscopy of PH3 and PH2 at high temperature and simulation of PH3 Raman spectrum, J. Raman Spectrosc., 1992, 23, 7, 379, https://doi.org/10.1002/jrs.1250230703 . [all data]

Davies, Russell, et al., 1979
Davies, P.B.; Russell, D.K.; Thrush, B.A.; Radford, H.E., Rotational laser magnetic resonance spectroscopy of PH2(X 2B1), Chem. Phys., 1979, 44, 3, 421, https://doi.org/10.1016/0301-0104(79)85225-8 . [all data]

Jacox, 1994
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules, American Chemical Society, Washington, DC, 1994, 464. [all data]

Jacox, 1998
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement A, J. Phys. Chem. Ref. Data, 1998, 27, 2, 115-393, https://doi.org/10.1063/1.556017 . [all data]

Jacox, 2003
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement B, J. Phys. Chem. Ref. Data, 2003, 32, 1, 1-441, https://doi.org/10.1063/1.1497629 . [all data]

Barrow, Dixon, et al., 1974
Barrow, T.; Dixon, R.N.; Duxbury, G., The Renner effect in a bent triatomic molecule executing a large amplitude bending vibration, Mol. Phys., 1974, 27, 5, 1217, https://doi.org/10.1080/00268977400101071 . [all data]

Davies, Russell, et al., 1976
Davies, P.B.; Russell, D.K.; Thrush, B.A., Laser magnetic resonance spectrum of the PH2 radical, Chem. Phys. Lett., 1976, 37, 1, 43, https://doi.org/10.1016/0009-2614(76)80157-1 . [all data]

Vervloet and Berthou, 1976
Vervloet, M.; Berthou, J.M., Etude du système, Can. J. Phys., 1976, 54, 13, 1375, https://doi.org/10.1139/p76-161 . [all data]

Huie, Long, et al., 1978
Huie, R.E.; Long, N.J.T.; Thrush, B.A., J. Chem. Soc., 1978, Faraday Trans. 2 74, 1253. [all data]

Sam and Yardley, 1978
Sam, C.L.; Yardley, J.T., Laser induced production of excited states of PH and PH2 from phosphine, J. Chem. Phys., 1978, 69, 10, 4621, https://doi.org/10.1063/1.436414 . [all data]

Hills and McKellar, 1979
Hills, G.W.; McKellar, A.R.W., Laser magnetic resonance spectrum of the ν2 band of PH2, J. Chem. Phys., 1979, 71, 3, 1141, https://doi.org/10.1063/1.438459 . [all data]

Birss, Lessard, et al., 1982
Birss, F.W.; Lessard, G.; Thrush, B.A.; Ramsay, D.A., Molecular constants for the ground state of PH2, J. Mol. Spectrosc., 1982, 92, 1, 269, https://doi.org/10.1016/0022-2852(82)90100-X . [all data]

Endo, Saito, et al., 1983
Endo, Y.; Saito, S.; Hirota, E., The microwave spectrum of the PH2 radical, J. Mol. Spectrosc., 1983, 97, 1, 204, https://doi.org/10.1016/0022-2852(83)90346-6 . [all data]

Kajita, Endo, et al., 1987
Kajita, M.; Endo, Y.; Hirota, E., The microwave spectrum of the PH2 radical, J. Mol. Spectrosc., 1987, 124, 1, 66, https://doi.org/10.1016/0022-2852(87)90121-4 . [all data]

Xuan and Margani, 1990
Xuan, C.N.; Margani, A., Dynamics and spectroscopy of PH2(A 2A1), J. Chem. Phys., 1990, 93, 1, 136, https://doi.org/10.1063/1.459612 . [all data]

Hirao, Hayakashi, et al., 1998
Hirao, T.; Hayakashi, S-I.; Yamamoto, S.; Saito, S., Microwave Spectrum of the PD2Radical in the2B1Ground Electronic State, J. Mol. Spectrosc., 1998, 187, 2, 153, https://doi.org/10.1006/jmsp.1997.7457 . [all data]

Margules, Herbst, et al., 2002
Margules, L.; Herbst, E.; Ahrens, V.; Lewen, F.; Winnewisser, G.; Muller, H.S.P., The Phosphidogen Radical, PH2: Terahertz Spectrum and Detectability in Space, J. Mol. Spectrosc., 2002, 211, 2, 211, https://doi.org/10.1006/jmsp.2001.8500 . [all data]

Notes

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References

• Symbols used in this document:
  

  EA	Electron affinity
  S°gas,1 bar	Entropy of gas at standard conditions (1 bar)
  ΔfH°gas	Enthalpy of formation of gas at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions

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