Arsine
- Formula: AsH3
- Molecular weight: 77.94542
- IUPAC Standard InChI: InChI=1S/AsH3/h1H3
- IUPAC Standard InChIKey: RBFQJDQYXXHULB-UHFFFAOYSA-N
- CAS Registry Number: 7784-42-1
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Arsenic trihydride; Arsenic hydride; Arseniuretted hydrogen; Arsenous hydride; Hydrogen arsenide; AsH3; Arsenic hydrid; Arsenowodor; Arsenwasserstoff; UN 2188; Arsenic hydride (AsH3)
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Phase change 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 as indicated in comments:
AC - William E. Acree, Jr., James S. Chickos
Enthalpy of vaporization
| ΔvapH (kJ/mol) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 16.7 | 210. | Sherman and Giauque, 1955 | AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
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| Temperature (K) | A | B | C | Reference | Comment |
|---|---|---|---|---|---|
| 130.5 to 211.1 | 3.43383 | 606.597 | -34.306 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Gas phase ion energetics data
Go To: Top, Phase change 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
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
LL - Sharon G. Lias and Joel F. Liebman
View reactions leading to H3As+ (ion structure unspecified)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Proton affinity (review) | 747.9 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
| Quantity | Value | Units | Method | Reference | Comment |
| Gas basicity | 712.0 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 9.89 | PE | Potts and Price, 1972 | LLK |
| 10.06 ± 0.03 | PE | Branton, Frost, et al., 1970 | RDSH |
| 10.03 | PI | Price and Passmore, 1963 | RDSH |
| 10.58 ± 0.05 | PE | Demuth, 1977 | Vertical value; LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| As+ | 15.0 ± 0.3 | H2+H | EI | Saalfeld and McDowell, 1967 | RDSH |
| As+ | 14.8 ± 0.2 | H2+H | EI | Saalfeld and Svec, 1963 | RDSH |
| AsH+ | 11.30 ± 0.05 | H2 | PI | Berkowitz, 1988 | LL |
| AsH+ | 12.5 ± 0.2 | H2 | EI | Saalfeld and McDowell, 1967 | RDSH |
| AsH+ | 12.4 ± 0.2 | H2 | EI | Saalfeld and Svec, 1963 | RDSH |
| AsH2+ | 12.69 ± 0.01 | H | PI | Berkowitz, 1988 | LL |
| AsH2+ | 13.4 ± 0.2 | H | EI | Saalfeld and McDowell, 1967 | RDSH |
| AsH2+ | 14.5 ± 0.2 | H | EI | Saalfeld and Svec, 1963 | RDSH |
De-protonation reactions
H2As- + =
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 1496. ± 8.8 | kJ/mol | G+TS | Gal, Maria, et al., 1989 | gas phase; B |
| ΔrH° | 1497. ± 13. | kJ/mol | D-EA | Smyth and Brauman, 1972 | gas phase; B |
| ΔrH° | 1514. ± 26. | kJ/mol | G+TS | Wyatt, Holtz, et al., 1974 | gas phase; Between PH3, H2S; value altered from reference due to change in acidity scale; B |
| ΔrH° | <1505. ± 19. | kJ/mol | EIAE | Ebinghaus, Kraus, et al., 1964 | gas phase; From AsH3; B |
| ΔrH° | 1502.1 | kJ/mol | N/A | Check, Faust, et al., 2001 | gas phase; CrOO-(q); ; ΔS(EA)=1.7; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 1464. ± 8.4 | kJ/mol | IMRE | Gal, Maria, et al., 1989 | gas phase; B |
| ΔrG° | 1483. ± 25. | kJ/mol | IMRB | Wyatt, Holtz, et al., 1974 | gas phase; Between PH3, H2S; value altered from reference due to change in acidity scale; B |
| ΔrG° | 1473.6 | kJ/mol | N/A | Check, Faust, et al., 2001 | gas phase; CrOO-(q); ; ΔS(EA)=1.7; B |
Vibrational and/or electronic energy levels
Go To: Top, Phase change 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: Takehiko Shimanouchi
Symmetry: C3ν Symmetry Number σ = 3
| Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
|---|---|---|---|---|---|---|---|---|---|---|
| Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
| a1 | 1 | Sym str | 2116 | A | 2116.1 | gas | ||||
| a1 | 2 | Sym deform | 906 | B | 906.0 | gas | ||||
| e | 3 | Deg str | 2123 | B | 2123.0 | gas | ||||
| e | 4 | Deg deform | 1003 | B | 1003 | gas | ||||
Source: Shimanouchi, 1972
Notes
| A | 0~1 cm-1 uncertainty |
| B | 1~3 cm-1 uncertainty |
References
Go To: Top, Phase change 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.
Sherman and Giauque, 1955
Sherman, R.H.; Giauque, W.F.,
Arsine. Vapor Pressure, Heat Capacity, Heats of Transition, Fusion and Vaporization. The Entropy from Calorimetric and from Molecular Data 1,
J. Am. Chem. Soc., 1955, 77, 8, 2154-2160, https://doi.org/10.1021/ja01613a034
. [all data]
Stull, 1947
Stull, Daniel R.,
Vapor Pressure of Pure Substances. Organic and Inorganic Compounds,
Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022
. [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]
Potts and Price, 1972
Potts, A.W.; Price, W.C.,
Photoelectron spectra and valence shell orbital structures of groups V VI hydrides,
Proc. R. Soc. London A:, 1972, 326, 181. [all data]
Branton, Frost, et al., 1970
Branton, G.R.; Frost, D.C.; McDowell, C.A.; Stenhouse, I.A.,
The photoelectron spectra of phosphine and arsine,
Chem. Phys. Lett., 1970, 5, 1. [all data]
Price and Passmore, 1963
Price, W.C.; Passmore, T.R.,
[Title unavailable],
Faraday Discuss. Chem. Soc., 1963, 35, 232. [all data]
Demuth, 1977
Demuth, R.,
Photoelektronenspektren von einigen Trihalogensilylphosphanen und -arsanen X3SiER2 (X = F, Cl; E = N, P, As; R = H, CH3),
Z. Naturforsch. B:, 1977, 32, 1252. [all data]
Saalfeld and McDowell, 1967
Saalfeld, F.E.; McDowell, M.V.,
The mass spectra of volatile hydrides. V. Silylarsine,
Inorg. Chem., 1967, 6, 96. [all data]
Saalfeld and Svec, 1963
Saalfeld, F.E.; Svec, H.J.,
The mass spectra of volatile hydrides. I. The monoelemental hydrides of the group IVB and VB elements,
Inorg. Chem., 1963, 2, 46. [all data]
Berkowitz, 1988
Berkowitz, J.,
Photoionization mass spectrometric studies of AsHn(n=1-3),
J. Chem. Phys., 1988, 89, 7065. [all data]
Gal, Maria, et al., 1989
Gal, J.-F.; Maria, P.-C.; Decouzon, M.,
The Gas-Phase Acidity and Bond Dissociation Energies of Hydrogen Telluride,
Int. J. Mass Spectrom. Ion Proc., 1989, 93, 1, 87, https://doi.org/10.1016/0168-1176(89)83076-9
. [all data]
Smyth and Brauman, 1972
Smyth, K.C.; Brauman, J.I.,
Photodetachment of electrons from amide and arsenide ions: The electron affinities of NH2 and AsH2.,
J. Chem. Phys., 1972, 56, 4620. [all data]
Wyatt, Holtz, et al., 1974
Wyatt, R.H.; Holtz, D.; McMahon, T.B.; Beauchamp, J.L.,
Acidity, basicity, and ion-molecule reactions of arsine in the gas phase by ICR spectroscopy,
Inorg. Chem., 1974, 13, 1511. [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]
Shimanouchi, 1972
Shimanouchi, T.,
Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
AE Appearance energy ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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