Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

Phosphino radical


Gas phase thermochemistry data

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

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
Deltafgas30.100kcal/molReviewChase, 1998Data last reviewed in March, 1963
Quantity Value Units Method Reference Comment
gas,1 bar50.827cal/mol*KReviewChase, 1998Data last reviewed in March, 1963

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.

View plot Requires a JavaScript / HTML 5 canvas capable browser.

View table.

Temperature (K) 298. - 1300.1300. - 6000.
A 6.13107112.74690
B 6.2955220.598475
C -0.593890-0.113675
D -0.5673120.007495
E 0.033290-2.145461
F 28.1103021.88440
G 56.5870060.78499
H 30.0999030.09990
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in March, 1963 Data last reviewed in March, 1963

Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, NIST Free Links, 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: 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- + Hydrogen cation = Phosphino radical

By formula: HP- + H+ = H2P

Quantity Value Units Method Reference Comment
Deltar369.8 ± 8.1kcal/molD-EAErvin and Lineberger, 2005gas phase

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Vibrational and/or electronic energy levels, NIST Free Links, 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

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)

Quantity Value Units Method Reference Comment
Proton affinity (review)169.5kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity161.5kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Deltaf(+) ion260. ± 1.kcal/molN/AN/A 

Electron affinity determinations

EA (eV) Method Reference Comment
1.2630 ± 0.0060LPESErvin and Lineberger, 2005High level calcns( Curtiss, Raghavachari, et al., 1991, Ricca and Bauschlicher, 1998) give DH ca. 84; B
1.271 ± 0.010LPESZittel and Lineberger, 1976B
0.96 ± 0.11D-EABartmess, Scott, et al., 1979The 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
1.250 ± 0.030PDSmyth and Brauman, 1972B
1.300 ± 0.030LPDSmyth, McIver, et al., 1971B
>1.14 ± 0.21D-EAEbinghaus, Kraus, et al., 1964B
1.22443N/ACheck, Faust, et al., 2001MnF5-(q); ; «DELTA»S(EA)=2.9; B
1.60014SIPage and Goode, 1969The Magnetron method, lacking mass analysis, is not considered reliable.; B

Ionization energy determinations

IE (eV) Method Reference Comment
9.824 ± 0.002PIBerkowitz, Curtiss, et al., 1986T = 0K; LBLHLM
9.84 ± 0.01PEDyke, Jonathan, et al., 1982T = 0K; LBLHLM
9.96EIMcAllister and Lossing, 1969RDSH
9.83 ± 0.02EIMcAllister and Lossing, 1969RDSH

De-protonation reactions

HP- + Hydrogen cation = Phosphino radical

By formula: HP- + H+ = H2P

Quantity Value Units Method Reference Comment
Deltar369.8 ± 8.1kcal/molD-EAErvin and Lineberger, 2005gas phase; B

Vibrational and/or electronic energy levels

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, NIST Free Links, 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


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

To = 18276.569 gas A-X 360 880 Ramsay, 1956
Guenebaut and Pascat, 1964
Guenebaut, Pascat, et al., 1965
Dixon, Duxbury, et al., 1967
Pascat, Berthou, et al., 1968
Berthou, Pascat, et al., 1972
Chen, Zhang, et al., 1994
Hirota and Kakimoto, 1995
Jakubek, Bunker, et al., 2006
To = 18215 ± 4 Ar A-X 405 550 Larzilliere and Jacox, 1979
Withnall, McCluskey, et al., 1989


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

a1 2 Bend 949.12 gas UV Guenebaut and Pascat, 1964
Berthou, Pascat, et al., 1972
2 Bend 949 ± 7 Ar AB Larzilliere and Jacox, 1979
Withnall, McCluskey, et al., 1989

State:   X


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

a1 1 Sym. stretch 2298 ± 3 gas LF Ra Zittel and Lineberger, 1976
Abraham, Bekkaoui, et al., 1992
Ervin and Lineberger, 2005
Jakubek, Bunker, et al., 2006
2 Bend 1101.91 gas LF LMR Guenebaut and Pascat, 1964
Dixon, Duxbury, et al., 1967
Davies, Russell, et al., 1979
Jakubek, Bunker, et al., 2006
2 Bend 1103 m Ar IR Larzilliere and Jacox, 1979

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

mMedium
oEnergy separation between the v = 0 levels of the excited and electronic ground states.

References

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, NIST Free Links, 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 «nu»2 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, NIST Free Links, References