Silane
- Formula: H4Si
- Molecular weight: 32.1173
- 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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Phase change data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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 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
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
De-protonation reactions
H3Si- + =
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1564. ± 8.8 | kJ/mol | G+TS | Gal, Decouzon, et al., 2001 | gas phase; B |
ΔrH° | 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 |
ΔrH° | 1559.8 ± 3.5 | kJ/mol | D-EA | Nimlos and Ellison, 1986 | gas phase; B |
ΔrH° | 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 |
ΔrH° | 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 |
ΔrG° | 1530. ± 8.4 | kJ/mol | IMRE | Gal, Decouzon, et al., 2001 | gas phase; B |
ΔrG° | 1526. ± 8.4 | kJ/mol | IMRE | Wetzel, Salomon, et al., 1989 | gas phase; value altered from reference due to change in acidity scale; B |
ΔrG° | 1525.4 ± 3.9 | kJ/mol | H-TS | Nimlos and Ellison, 1986 | gas phase; B |
ΔrG° | 1522. ± 8.4 | kJ/mol | IMRE | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale; B |
ΔrG° | 1533.0 | kJ/mol | N/A | Check, Faust, et al., 2001 | gas phase; MnS-(t); ; ΔS(EA)=5.7; B |
Ion clustering data
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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. Searches may be limited to ion clustering reactions. A general reaction search form is also available.
Clustering reactions
By formula: H- + H4Si = (H- • H4Si)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 79. ± 17. | kJ/mol | IMRB | Hajdasz, Ho, et al., 1994 | gas phase |
ΔrH° | 94. ± 19. | kJ/mol | IMRE | Hajdasz and Squires, 1986 | gas phase; QCISD Calculation: H-A = 20.2, 99MOC |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 49. ± 17. | kJ/mol | IMRB | Hajdasz, Ho, et al., 1994 | gas phase |
Vibrational and/or electronic energy levels
Go To: Top, Phase change data, Gas phase ion energetics data, Ion clustering 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: Td Symmetry Number σ = 12
Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
---|---|---|---|---|---|---|---|---|---|---|
Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
a1 | 1 | Sym str | 2187 | B | ia | 2187.0 S | gas | |||
e | 2 | Deg deform | 975 | C | 974.6 ia | gas | 978 W | gas | observed through Coriolis interaction with ν4 | |
f2 | 3 | Deg str | 2191 | A | 2190.6 | gas | ||||
f2 | 4 | Deg deform | 914 | B | 914.2 | gas | ||||
Source: Shimanouchi, 1972
Notes
S | Strong |
W | Weak |
ia | Inactive |
A | 0~1 cm-1 uncertainty |
B | 1~3 cm-1 uncertainty |
C | 3~6 cm-1 uncertainty |
References
Go To: Top, Phase change data, Gas phase ion energetics data, Ion clustering 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.
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)nH4-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 SiHn (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]
Hajdasz, Ho, et al., 1994
Hajdasz, D.J.; Ho, Y.; Squires, R.R.,
Gas-Phase Chemistry of Pentacoordinate Silicon Hydrides,
J. Am. Chem. Soc., 1994, 116, 23, 10751, https://doi.org/10.1021/ja00102a045
. [all data]
Hajdasz and Squires, 1986
Hajdasz, D.J.; Squires, R.R.,
Hypervalent silicon hydrides: SiH5-,
J. Am. Chem. Soc., 1986, 108, 3139. [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, Ion clustering data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
AE Appearance energy IE (evaluated) Recommended ionization energy ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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