PH2 anion

Gas phase ion energetics data

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Data compiled by: John E. Bartmess

H₂P^- + =

By formula: H₂P^- + H⁺ = H₃P

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	363.8 ± 1.5	kcal/mol	D-EA	Ervin and Lineberger, 2005	gas phase; High level calcns( Curtiss, Raghavachari, et al., 1991, Ricca and Bauschlicher, 1998) give DH ca. 84
Δ_rH°	370.8 ± 2.1	kcal/mol	G+TS	Bartmess, Scott, et al., 1979	gas 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
Δ_rH°	364.3 ± 4.6	kcal/mol	EIAE	Halmann and Platzner, 1969	gas phase
Δ_rH°	<366.6 ± 4.6	kcal/mol	EIAE	Ebinghaus, Kraus, et al., 1964	gas phase
Δ_rH°	365.60	kcal/mol	N/A	Check, Faust, et al., 2001	gas phase; MnF5-(q); ; ΔS(EA)=2.9
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	356.4 ± 1.6	kcal/mol	H-TS	Ervin and Lineberger, 2005	gas phase; High level calcns( Curtiss, Raghavachari, et al., 1991, Ricca and Bauschlicher, 1998) give DH ca. 84
Δ_rG°	363.4 ± 2.0	kcal/mol	IMRE	Bartmess, Scott, et al., 1979	gas 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
Δ_rG°	358.70	kcal/mol	N/A	Check, Faust, et al., 2001	gas phase; MnF5-(q); ; ΔS(EA)=2.9

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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]

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Symbols used in this document:

Δ_rG° Free energy of reaction at standard conditions

Δ_rH° Enthalpy of reaction at standard conditions
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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Δ_rG°	Free energy of reaction at standard conditions
Δ_rH°	Enthalpy of reaction at standard conditions