Phosphino radical
- Formula: H2P
- Molecular weight: 32.98964
- IUPAC Standard InChIKey: FVZVCSNXTFCBQU-UHFFFAOYSA-N
- CAS Registry Number: 13765-43-0
- Chemical structure:
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Gas phase ion energetics data
Go To: Top, 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) | 169.5 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 161.5 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
ΔfH°(+) ion | 260. ± 1. | kcal/mol | N/A | N/A |
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
1.2630 ± 0.0060 | LPES | Ervin and Lineberger, 2005 | High level calcns( Curtiss, Raghavachari, et al., 1991, Ricca and Bauschlicher, 1998) give DH ca. 84; B |
1.271 ± 0.010 | LPES | Zittel and Lineberger, 1976 | B |
0.96 ± 0.11 | D-EA | Bartmess, Scott, et al., 1979 | 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 |
1.250 ± 0.030 | PD | Smyth and Brauman, 1972 | B |
1.300 ± 0.030 | LPD | Smyth, McIver, et al., 1971 | B |
>1.14 ± 0.21 | D-EA | Ebinghaus, Kraus, et al., 1964 | B |
1.22443 | N/A | Check, Faust, et al., 2001 | MnF5-(q); ; ΔS(EA)=2.9; B |
1.60014 | SI | Page and Goode, 1969 | The Magnetron method, lacking mass analysis, is not considered reliable.; B |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
9.824 ± 0.002 | PI | Berkowitz, Curtiss, et al., 1986 | T = 0K; LBLHLM |
9.84 ± 0.01 | PE | Dyke, Jonathan, et al., 1982 | T = 0K; LBLHLM |
9.96 | EI | McAllister and Lossing, 1969 | RDSH |
9.83 ± 0.02 | EI | McAllister and Lossing, 1969 | RDSH |
De-protonation reactions
HP- + =
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 369.8 ± 8.1 | kcal/mol | D-EA | Ervin and Lineberger, 2005 | gas phase; B |
References
Go To: Top, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
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]
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]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
EA Electron affinity ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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