(Trimethylsilyl)acetylene
- Formula: C5H10Si
- Molecular weight: 98.2184
- IUPAC Standard InChI: InChI=1S/C5H10Si/c1-5-6(2,3)4/h1H,2-4H3
- IUPAC Standard InChIKey: CWMFRHBXRUITQE-UHFFFAOYSA-N
- CAS Registry Number: 1066-54-2
- 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. - Species with the same structure:
- Other names: Ethynyltrimethylsilane; Silane, ethynyltrimethyl-; Acetylene, trimethylsilyl-; Silane, trimethyl-, ethynyl-; (Trimethylsilyl)ethyne; 1-(Trimethylsilyl)acetylene; 1-Trimethylsilylethyne; Trimethylethynylsilane; Ethyne,-trimethylsilyl
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- Other data available:
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Gas phase ion energetics data
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, 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:
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
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 9.7 | PE | Matsumoto, Akaiwa, et al., 1986 | LBLHLM |
| 10.40 ± 0.02 | EI | MacLean and Sacher, 1974 | LLK |
| 9.9 ± 0.1 | PE | Bieri, Brogli, et al., 1973 | LLK |
| 10.14 ± 0.04 | EI | Bock and Seidl, 1968 | RDSH |
| 10.18 | PE | Matsumoto, Akaiwa, et al., 1986 | Vertical value; LBLHLM |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C4H7Si+ | 10.03 ± 0.05 | CH3 | PI | Takhistov, Khlebnikova, et al., 1980 | LLK |
| C4H7Si+ | 10.79 ± 0.04 | CH3 | EI | MacLean and Sacher, 1974 | LLK |
Mass spectrum (electron ionization)
Go To: Top, Gas phase ion energetics data, Gas Chromatography, 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 | NIST Mass Spectrometry Data Center, 1994 |
| NIST MS number | 136020 |
Gas Chromatography
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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | OV-101 | 552. | Zenkevich, 2005 | 25. m/0.20 mm/0.10 μm, N2/He, 6. K/min; Tstart: 50. C; Tend: 250. C |
References
Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Matsumoto, Akaiwa, et al., 1986
Matsumoto, H.; Akaiwa, K.; Nagai, Y.; Ohno, K.; Imai, K.; Masuda, S.; Harada, Y.,
Analysis of stereochemical properties of molecular orbitals of (trimethylsilyl)acetylenes by penning ionization electron spectroscopy,
Organometallics, 1986, 5, 1526. [all data]
MacLean and Sacher, 1974
MacLean, D.I.; Sacher, R.E.,
A study of some spectroscopic properties of Group IVA acetylides,
J. Organomet. Chem., 1974, 74, 197. [all data]
Bieri, Brogli, et al., 1973
Bieri, G.; Brogli, F.; Heilbronner, E.; Kloster-Jensen, E.,
A photoelectron spectroscopic investigation of the electronic structure of trimethylsilylhaloacetylenes,
J. Electron Spectrosc. Relat. Phenom., 1973, 1, 67. [all data]
Bock and Seidl, 1968
Bock, H.; Seidl, H.,
d-Orbital effects in siliconsubstituted π-electron systems. Part XII. Some spectroscopic properties of alkyl and silyl acetylenes and polyacetylenes,
J. Chem. Soc. B, 1968, 1158. [all data]
Takhistov, Khlebnikova, et al., 1980
Takhistov, V.; Khlebnikova, N.; Orlov, V.,
Photoionization study of energetic properties of cations formed with fragmentation of substituted acetylenes containing elements of IV B group,
Org. React. Tartu, 1980, 17, 449. [all data]
Zenkevich, 2005
Zenkevich, I.G.,
Experimentally measured retention indices., 2005. [all data]
Notes
Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
AE Appearance energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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