Silane, methyl-
- Formula: CH6Si
- Molecular weight: 46.1438
- IUPAC Standard InChIKey: UIUXUFNYAYAMOE-UHFFFAOYSA-N
- CAS Registry Number: 992-94-9
- 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: Methylsilane; Silaethane; CH3SiH3
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Gas phase ion energetics data
Go To: Top, Mass spectrum (electron ionization), 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:
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
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
10.7 | PE | Potzinger, Ritter, et al., 1975 | LLK |
11.6 | PE | Roberge, Sandorfy, et al., 1978 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
CH3+ | 15.1 ± 0.3 | ? | EI | Steele, Nichols, et al., 1962 | RDSH |
CH3Si+ | 12.8 | ? | EI | Bradshaw, Moyes, et al., 1976 | LLK |
CH3Si+ | 14.05 ± 0.05 | H2+H | EI | Potzinger and Lampe, 1970 | RDSH |
CH4Si+ | 11.3 | ? | EI | Bradshaw, Moyes, et al., 1976 | LLK |
CH4Si+ | 11.4 ± 0.1 | H2 | EI | Potzinger, Ritter, et al., 1975 | LLK |
CH4Si+ | 11.45 ± 0.05 | H2 | EI | Potzinger and Lampe, 1970 | RDSH |
CH5Si+ | 11.8 | H | EI | Bradshaw, Moyes, et al., 1976 | LLK |
CH5Si+ | 11.8 ± 0.1 | H | EI | Potzinger, Ritter, et al., 1975 | LLK |
CH5Si+ | 11.80 ± 0.05 | H | EI | Potzinger and Lampe, 1970 | RDSH |
HSi+ | 14.8 | ? | EI | Bradshaw, Moyes, et al., 1976 | LLK |
H2Si+ | 11.7 | CH4 | EI | Bradshaw, Moyes, et al., 1976 | LLK |
H2Si+ | 11.5 ± 0.1 | CH4 | EI | Potzinger, Ritter, et al., 1975 | LLK |
SiH2+ | 11.50 ± 0.05 | CH4 | EI | Potzinger and Lampe, 1970 | RDSH |
SiH2+ | 11.6 ± 0.1 | CH4 | EI | Steele, Nichols, et al., 1962 | RDSH |
H3Si+ | 12.5 | ? | EI | Bradshaw, Moyes, et al., 1976 | LLK |
SiH3+ | 12.8 ± 0.1 | CH3 | EI | Steele, Nichols, et al., 1962 | RDSH |
Si+ | 12.1 | ? | EI | Bradshaw, Moyes, et al., 1976 | LLK |
De-protonation reactions
CH5Si- + =
By formula: CH5Si- + H+ = CH6Si
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 377.4 ± 2.1 | kcal/mol | G+TS | Gal, Decouzon, et al., 2001 | gas phase; B |
ΔrH° | 378.0 ± 3.0 | kcal/mol | D-EA | Wetzel, Salomon, et al., 1989 | gas phase; B |
ΔrH° | 378.0 ± 2.1 | kcal/mol | G+TS | Wetzel, Salomon, et al., 1989 | gas phase; 0.8 kcal/mol weaker than iPrOH; value altered from reference due to change in acidity scale; B |
ΔrH° | 385.4 ± 4.1 | kcal/mol | G+TS | Damrauer, Kass, et al., 1988 | gas phase; Between furan and methanol.; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 369.0 ± 2.0 | kcal/mol | IMRE | Gal, Decouzon, et al., 2001 | gas phase; B |
ΔrG° | 369.6 ± 3.1 | kcal/mol | H-TS | Wetzel, Salomon, et al., 1989 | gas phase; B |
ΔrG° | 369.6 ± 2.0 | kcal/mol | IMRE | Wetzel, Salomon, et al., 1989 | gas phase; 0.8 kcal/mol weaker than iPrOH; value altered from reference due to change in acidity scale; B |
ΔrG° | 377.0 ± 4.0 | kcal/mol | IMRB | Damrauer, Kass, et al., 1988 | gas phase; Between furan and methanol.; B |
CH5Si- + =
By formula: CH5Si- + H+ = CH6Si
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 388.4 ± 4.1 | kcal/mol | G+TS | Damrauer, Kass, et al., 1988 | gas phase; Slightly less acidic then fluorobenzene; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 380.0 ± 4.0 | kcal/mol | IMRB | Damrauer, Kass, et al., 1988 | gas phase; Slightly less acidic then fluorobenzene; B |
Mass spectrum (electron ionization)
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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | R.W.CRAWFORD UNIV. OF CALIFORNIA, LIVERMORE, CALIFORNIA, USA |
NIST MS number | 80 |
Vibrational and/or electronic energy levels
Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), 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 | CH3 s-str | 2898 | E | 2928.8 M | gas | FR(ν2+ν5) | |||
a1 | 1 | CH3 s-str | 2898 | E | 2867.4 M | gas | ||||
a1 | 2 | SiH3 s-str | 2169 | C | 2169 S | gas | ||||
a1 | 3 | CH3 s-deform | 1260 | C | 1260 M | gas | ||||
a1 | 4 | SiH3 s-deform | 940 | C | 940 VS | gas | ||||
a1 | 5 | Csi str | 700 | C | 700 S | gas | ||||
a2 | 6 | Torsion | 187 | D | ia | ν187.6νA). MW. ν186.9νE) | ||||
e | 7 | CH3 d-str | 2982 | A | 2981.6 M | gas | ||||
e | 8 | SiH3 d-str | 2166 | A | 2965.7 S | gas | ||||
e | 9 | CH3 d-deform | 1403 | C | 1403 M | gas | ||||
e | 10 | SiH3 d-deform | 980 | D | 980 | gas | The band origin is not determined clearly | |||
e | 11 | CH3 rock | 868 | B | 867.5 S | gas | ||||
e | 12 | SiH3 rock | 540 | C | 540 M | gas | ||||
Source: Shimanouchi, 1972
Notes
VS | Very strong |
S | Strong |
M | Medium |
ia | Inactive |
FR | Fermi resonance with an overtone or a combination tone indicated in the parentheses. |
MW | Torsional Frequency calculated from microwave spectroscopic data. |
A | 0~1 cm-1 uncertainty |
B | 1~3 cm-1 uncertainty |
C | 3~6 cm-1 uncertainty |
D | 6~15 cm-1 uncertainty |
E | 15~30 cm-1 uncertainty |
References
Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), 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.
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]
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]
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]
Bradshaw, Moyes, et al., 1976
Bradshaw, D.I.; Moyes, R.B.; Wells, P.B.,
Mass spectra of some deuterium-labelled methylsilanes the analysis of mixtures,
Can. J. Chem., 1976, 54, 599. [all data]
Potzinger and Lampe, 1970
Potzinger, P.; Lampe, F.W.,
Ionic reactions in gaseous methylsilane,
J. Phys. Chem., 1970, 74, 587. [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]
Damrauer, Kass, et al., 1988
Damrauer, R.; Kass, S.R.; DePuy, C.H.,
Gas-Phase Acidities of Methylsilanes: C-H versus Si-H,
Organomet., 1988, 7, 3, 637, https://doi.org/10.1021/om00093a011
. [all data]
Shimanouchi, 1972
Shimanouchi, T.,
Tables of Molecular Vibrational Frequencies Consolidated Volume II,
J. Phys. Chem. Ref. Data, 1972, 6, 3, 993-1102. [all data]
Notes
Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), 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 - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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