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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Reaction thermochemistry data
Go To: Top, Gas phase ion energetics data, 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: 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- + =
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1547. ± 34. | kJ/mol | D-EA | Ervin and Lineberger, 2005 | gas phase |
Gas phase ion energetics data
Go To: Top, Reaction thermochemistry data, 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 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) | 709.2 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 675.7 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
ΔfH°(+) ion | 1090. ± 4. | kJ/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° | 1547. ± 34. | kJ/mol | D-EA | Ervin and Lineberger, 2005 | gas phase; B |
Vibrational and/or electronic energy levels
Go To: Top, 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
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (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
m | Medium |
o | Energy separation between the v = 0 levels of the excited and electronic ground states. |
References
Go To: Top, 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.
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, Reaction thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, 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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