(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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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 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 |
References
Go To: Top, Gas phase ion energetics data, 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]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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