Silane

Formula: H₄Si
Molecular weight: 32.1173
IUPAC Standard InChI: InChI=1S/H4Si/h1H4
IUPAC Standard InChIKey: BLRPTPMANUNPDV-UHFFFAOYSA-N
CAS Registry Number: 7803-62-5
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: Silicane; Silicon hydride (SiH4); Silicon tetrahydride; SiH4; Monosilane; Silicon hydride; UN 2203
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Other data available:
Data at other public NIST sites:
- Electron-Impact Ionization Cross Sections (on physics web site)
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Phase change data

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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
93.8 to 161.7	4.22228	703.987	5.352	Stull, 1947	Coefficents calculated by NIST from author's data.

Gas phase ion energetics data

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Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to H₄Si⁺ (ion structure unspecified)

Quantity	Value	Units	Method	Reference	Comment
IE (evaluated)	11.00 ± 0.02	eV	N/A	N/A	L
Quantity	Value	Units	Method	Reference	Comment
Proton affinity (review)	639.7	kJ/mol	N/A	Hunter and Lias, 1998	HL
Quantity	Value	Units	Method	Reference	Comment
Gas basicity	613.4	kJ/mol	N/A	Hunter and Lias, 1998	HL

Ionization energy determinations

IE (eV)	Method	Reference	Comment
11.2 ± 0.1	PI	Shin, Corderman, et al., 1990	LL
11.00 ± 0.02	PI	Berkowitz, Greene, et al., 1987	LBLHLM
11.7	PE	Potzinger, Ritter, et al., 1975	LLK
11.60	PE	Potts and Price, 1972	LLK
11.66	PE	Pullen, Carlson, et al., 1970	RDSH
12.3	PE	Roberge, Sandorfy, et al., 1978	Vertical value; LLK

Appearance energy determinations

Ion	AE (eV)	Other Products	Method	Reference	Comment
HSi⁺	13.8 ± 0.4	H₂+H	PI	Borlin, Heinis, et al., 1986	LBLHLM
HSi⁺	15. ± 1.	H₂+H	EI	Chatham, Hils, et al., 1984	LBLHLM
HSi⁺	14.7	?	EI	Morrison and Traeger, 1973	LLK
SiH⁺	15.3 ± 0.3	?	EI	Potzinger and Lampe, 1969	RDSH
SiH⁺	16.1 ± 0.2	?	EI	Saalfeld and Svec, 1963	RDSH
H₂Si⁺	11.52 ± 0.03	H₂	PI	Shin, Corderman, et al., 1990	LL
H₂Si⁺	11.54 ± 0.01	H₂	PI	Berkowitz, Greene, et al., 1987	LBLHLM
H₂Si⁺	11.05 ± 0.05	H₂	PI	Borlin, Heinis, et al., 1986	LBLHLM
H₂Si⁺	11.67 ± 0.04	H₂	PI	Ding, Cassidy, et al., 1985	LBLHLM
H₂Si⁺	11.6 ± 0.4	H₂	EI	Chatham, Hils, et al., 1984	LBLHLM
H₂Si⁺	11.9 ± 0.1	H₂	EI	Potzinger, Ritter, et al., 1975	LLK
H₂Si⁺	11.8	H₂	EI	Morrison and Traeger, 1973	LLK
H₂Si⁺	16.2	2H?	EI	Morrison and Traeger, 1973	LLK
SiH₂⁺	11.90 ± 0.02	H₂	EI	Potzinger and Lampe, 1969	RDSH
SiH₂⁺	11.91 ± 0.02	H₂	EI	Steele, Nichols, et al., 1962	RDSH
H₃Si⁺	12.10	H	DER	Shin, Corderman, et al., 1990	LL
H₃Si⁺	≤12.086 ± 0.020	H	PI	Berkowitz, Greene, et al., 1987	LBLHLM
H₃Si⁺	12.10 ± 0.05	H	PI	Borlin, Heinis, et al., 1986	LBLHLM
H₃Si⁺	12.23 ± 0.02	H	PI	Ding, Cassidy, et al., 1985	LBLHLM
H₃Si⁺	12.2 ± 0.4	H	EI	Chatham, Hils, et al., 1984	LBLHLM
H₃Si⁺	12.3 ± 0.1	H	EI	Potzinger, Ritter, et al., 1975	LLK
H₃Si⁺	12.2	H	EI	Morrison and Traeger, 1973	LLK
SiH₃⁺	12.30 ± 0.03	H	EI	Potzinger and Lampe, 1969	RDSH
SiH₃⁺	11.81 ± 0.09	H	EI	Saalfeld and Svec, 1966	RDSH
SiH₃⁺	11.8 ± 0.2	H	EI	Saalfeld and Svec, 1963	RDSH
SiH₃⁺	12.40 ± 0.02	H	EI	Steele, Nichols, et al., 1962	RDSH
Si⁺	12.65 ± 0.10	H₂⁺²H	PI	Borlin, Heinis, et al., 1986	LBLHLM
Si⁺	14. ± 2.	?	EI	Chatham, Hils, et al., 1984	LBLHLM
Si⁺	13.3	?	EI	Morrison and Traeger, 1973	LLK
Si⁺	13.56 ± 0.08	?	EI	Potzinger and Lampe, 1969	RDSH
Si⁺	11.7 ± 0.2	?	EI	Saalfeld and Svec, 1963	RDSH

De-protonation reactions

H₃Si^- + = Silane

By formula: H₃Si^- + H⁺ = H₄Si

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	1564. ± 8.8	kJ/mol	G+TS	Gal, Decouzon, et al., 2001	gas phase; B
Δ_rH°	1560. ± 8.8	kJ/mol	G+TS	Wetzel, Salomon, et al., 1989	gas phase; value altered from reference due to change in acidity scale; B
Δ_rH°	1559.8 ± 3.5	kJ/mol	D-EA	Nimlos and Ellison, 1986	gas phase; B
Δ_rH°	1556. ± 8.8	kJ/mol	G+TS	Bartmess, Scott, et al., 1979	gas phase; value altered from reference due to change in acidity scale; B
Δ_rH°	1564.4	kJ/mol	N/A	Check, Faust, et al., 2001	gas phase; MnS-(t); ; ΔS(EA)=5.7; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	1530. ± 8.4	kJ/mol	IMRE	Gal, Decouzon, et al., 2001	gas phase; B
Δ_rG°	1526. ± 8.4	kJ/mol	IMRE	Wetzel, Salomon, et al., 1989	gas phase; value altered from reference due to change in acidity scale; B
Δ_rG°	1525.4 ± 3.9	kJ/mol	H-TS	Nimlos and Ellison, 1986	gas phase; B
Δ_rG°	1522. ± 8.4	kJ/mol	IMRE	Bartmess, Scott, et al., 1979	gas phase; value altered from reference due to change in acidity scale; B
Δ_rG°	1533.0	kJ/mol	N/A	Check, Faust, et al., 2001	gas phase; MnS-(t); ; ΔS(EA)=5.7; B

References

Go To: Top, Phase change data, Gas phase ion energetics data, Notes

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]

Shin, Corderman, et al., 1990
Shin, S.K.; Corderman, R.R.; Beauchamp, J.L., Photoionization mass spectrometric studies of the methylsilanes Si(CH₃)_nH_4-n (n = 0-3), Int. J. Mass Spectrom. Ion Processes, 1990, 101, 257. [all data]

Berkowitz, Greene, et al., 1987
Berkowitz, J.; Greene, J.P.; Cho, H.; Ruscic, B., Photoionization mass spectrometric studies of SiH_n (n=1-4), J. Chem. Phys., 1987, 86, 1235. [all data]

Potzinger, Ritter, et al., 1975
Potzinger, P.; Ritter, A.; Krause, J., Massenspektrometrische Bestimmung von Bindungsenergien in siliciumorganischen Verbindungen, Z. Naturforsch. A:, 1975, 30, 347. [all data]

Potts and Price, 1972
Potts, A.W.; Price, W.C., The photoelectron spectra of methane, silane germane and stannane, Proc. R. Soc. London A:, 1972, 165. [all data]

Pullen, Carlson, et al., 1970
Pullen, B.P.; Carlson, T.A.; Moddeman, W.E.; Schweitzer, G.K.; Bull, W.E., Photoelectron spectra of methane, silane, germane, methyl fluoride, difluoromethane, and trifluoromethane, J. Chem. Phys., 1970, 53, 768. [all data]

Roberge, Sandorfy, et al., 1978
Roberge, R.; Sandorfy, C.; Matthews, J.I.; Strausz, O.P., The far ultraviolet HeI photoelectron spectra of alkyl and fluorine substituted silane derivatives, J. Chem. Phys., 1978, 69, 5105. [all data]

Borlin, Heinis, et al., 1986
Borlin, K.; Heinis, T.; Jungen, M., Photoionization mass spectrometry of silane, Chem. Phys., 1986, 103, 93. [all data]

Chatham, Hils, et al., 1984
Chatham, H.; Hils, D.; Robertson, R.; Gallagher, A., Total and partial electron collisional ionization cross sections for CH₄, C₂H₆, SiH₄, and Si₂H₆, J. Chem. Phys., 1984, 81, 1770. [all data]

Morrison and Traeger, 1973
Morrison, J.D.; Traeger, J.C., Ionization and dissociation by electron impact. III. CH₄ and SiH₄, Int. J. Mass Spectrom. Ion Phys., 1973, 11, 289. [all data]

Potzinger and Lampe, 1969
Potzinger, P.; Lampe, F.W., An electron impact study of ionization and dissociation of monosilane and disilane, J. Phys. Chem., 1969, 73, 3912. [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]

Ding, Cassidy, et al., 1985
Ding, A.; Cassidy, R.; Cordis, L.; Lampe, F., The photoionization spectra of effusing and supersonic molecular beams of Mmnosilane, J. Chem. Phys., 1985, 83, 3426. [all data]

Steele, Nichols, et al., 1962
Steele, W.C.; Nichols, L.D.; Stone, F.G.A., The determination of silicon-carbon and silicon-hydrogen bond dissociation energies by electron impact, J. Am. Chem. Soc., 1962, 84, 4441. [all data]

Saalfeld and Svec, 1966
Saalfeld, F.E.; Svec, H.J., Mass spectra of volatile hydrides. IV. Silylgermane, J. Phys. Chem., 1966, 70, 1753. [all data]

Gal, Decouzon, et al., 2001
Gal, J.F.; Decouzon, M.; Maria, P.C.; Gonzalez, A.I.; Mo, O.; Yanez, M.; El Chaouch, S.; Guillemin, J.C., Acidity trends in alpha,beta-unsaturated alkanes, silanes, germanes, and stannanes, J. Am. Chem. Soc., 2001, 123, 26, 6353-6359, https://doi.org/10.1021/ja004079j . [all data]

Wetzel, Salomon, et al., 1989
Wetzel, D.M.; Salomon, K.E.; Berger, S.; Brauman, J.I., Gas-Phase Acidities of Organosilanes and Electron Affinities of Organosilyl Radicals, J. Am. Chem. Soc., 1989, 111, 11, 3835, https://doi.org/10.1021/ja00193a013 . [all data]

Nimlos and Ellison, 1986
Nimlos, M.R.; Ellison, G.B., Photoelectron spectroscopy of SiH₃^- and SiD₃^-, J. Am. Chem. Soc., 1986, 108, 6522. [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]

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]

Notes

Go To: Top, Phase change data, Gas phase ion energetics data, References

Symbols used in this document:

AE Appearance energy

IE (evaluated) Recommended ionization energy

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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AE	Appearance energy
IE (evaluated)	Recommended ionization energy
Δ_rG°	Free energy of reaction at standard conditions
Δ_rH°	Enthalpy of reaction at standard conditions