2-Silaisobutene
- Formula: C3H8Si
- Molecular weight: 72.1811
- IUPAC Standard InChIKey: ZIOQFHFYVWYPJP-UHFFFAOYSA-N
- CAS Registry Number: 4112-23-6
- Chemical structure:
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Gas phase ion energetics data
Go To: Top, 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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
Data compiled as indicated in comments:
B - John E. Bartmess
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
View reactions leading to C3H8Si+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Proton affinity (review) | 947.5 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 921.0 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
7.71 ± 0.03 | PE | Dyke, Josland, et al., 1982 | LBLHLM |
8.0 | PE | Koenig and McKenna, 1981 | LLK |
7.5 ± 0.3 | DER | Gusel'nikov and Nametkin, 1979 | LLK |
7.98 ± 0.01 | PE | Dyke, Josland, et al., 1982 | Vertical value; LBLHLM |
De-protonation reactions
C3H7Si- + =
By formula: C3H7Si- + H+ = C3H8Si
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1613. ± 21. | kJ/mol | G+TS | Damrauer, DePuy, et al., 1986 | gas phase; Between H2O, MeOH; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1586. ± 21. | kJ/mol | IMRB | Damrauer, DePuy, et al., 1986 | gas phase; Between H2O, MeOH; B |
Vibrational and/or electronic energy levels
Go To: Top, Gas phase ion energetics 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: Marilyn E. Jacox
State: X
Additional references: Jacox, 1994, page 401; Jacox, 2003, page 386; Mahaffy, Gutowsky, et al., 1980; Mal'tsev, Khabashesku, et al., 1984; Khabashesku, Kudin, et al., 1998
Notes
w | Weak |
m | Medium |
s | Strong |
vs | Very strong |
References
Go To: Top, Gas phase ion energetics 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.
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]
Dyke, Josland, et al., 1982
Dyke, J.M.; Josland, G.D.; Lewis, R.A.; Morris, A.,
Improved first ionization potential of the dimethylsilaethylene molecule obtained with high-temperature photoelectron spectroscopy,
J. Phys. Chem., 1982, 86, 2913. [all data]
Koenig and McKenna, 1981
Koenig, T.; McKenna, W.,
First ionization band of 1,1-dimethylsilaethylene by transient photoelectron spectroscopy,
J. Am. Chem. Soc., 1981, 103, 1212. [all data]
Gusel'nikov and Nametkin, 1979
Gusel'nikov, L.E.; Nametkin, N.S.,
1,1-dimethyl-1-silaethylene. Heat of formation, ionization potential and the energy of the silicon-carbon π-bond,
J. Organomet. Chem., 1979, 169, 155. [all data]
Damrauer, DePuy, et al., 1986
Damrauer, R.; DePuy, C.H.; Davidson, I.M.T.; Hughes, K.J.,
Gas phase ion chemistry of dimethylsilene,
Organometallics, 1986, 5, 2050. [all data]
Trommer, Sander, et al., 1993
Trommer, M.; Sander, W.; Patyk, A.,
Oxidation of methylsilenes with molecular oxygen. A matrix isolation study,
J. Am. Chem. Soc., 1993, 115, 25, 11775, https://doi.org/10.1021/ja00078a016
. [all data]
Mal'tsev, Khabashesku, et al., 1977
Mal'tsev, A.K.; Khabashesku, V.N.; Nefedov, O.M.,
Dokl. Akad. Nauk SSSR, 1977, 233, 421. [all data]
Mal'tsev, Khabashesku, et al., 1979
Mal'tsev, A.K.; Khabashesku, V.N.; Nefedov, O.M.,
Izv. A.N. SSSR, 1979, Ser. Khim., 2152. [all data]
Nefedov, Mal'tsev, et al., 1980
Nefedov, O.M.; Mal'tsev, A.K.; Khabashesku, V.N.; Korolev, V.A.,
Ar-matrix stabilization and ir spectra of 1,1-dimethyl-1-silaethylene and its deuteromethyl derivative,
J. Organomet. Chem., 1980, 201, 1, 123, https://doi.org/10.1016/S0022-328X(00)92571-3
. [all data]
Gusel'nikov, Volkova, et al., 1980
Gusel'nikov, L.E.; Volkova, V.V.; Avakyan, V.G.; Nametkin, N.S.,
Very low pressure pyrolysis (VLPP) of monosilacyclobutanes. Infrared absorptions of 1,1-dimethyl-1-silaethylene, (CH3)2Si«58875»CH2, and 1,1-dideuteriomethyl-1-silaethylene, (CD3)2Si«58875»CH2 isolated in argon matrices,
J. Organomet. Chem., 1980, 201, 1, 137, https://doi.org/10.1016/S0022-328X(00)92572-5
. [all data]
Jacox, 1994
Jacox, M.E.,
Vibrational and electronic energy levels of polyatomic transient molecules, American Chemical Society, Washington, DC, 1994, 464. [all data]
Jacox, 2003
Jacox, M.E.,
Vibrational and electronic energy levels of polyatomic transient molecules: supplement B,
J. Phys. Chem. Ref. Data, 2003, 32, 1, 1-441, https://doi.org/10.1063/1.1497629
. [all data]
Mahaffy, Gutowsky, et al., 1980
Mahaffy, P.G.; Gutowsky, R.; Montgomery, L.K.,
An electron diffraction study of 1,1-dimethylsilaethylene,
J. Am. Chem. Soc., 1980, 102, 8, 2854, https://doi.org/10.1021/ja00528a064
. [all data]
Mal'tsev, Khabashesku, et al., 1984
Mal'tsev, A.K.; Khabashesku, V.N.; Nefedov, O.M.,
Direct spectroscopic study of silaolefins. Vibrational frequencies of R2Si«58875»CD2 (R = CH3, CD3) in an argon matrix,
J. Organomet. Chem., 1984, 271, 1-3, 55, https://doi.org/10.1016/0022-328X(84)85163-3
. [all data]
Khabashesku, Kudin, et al., 1998
Khabashesku, V.N.; Kudin, K.N.; Margrave, J.L.,
Vibrational analysis of infrared spectra of matrix-isolated transient silenes on basis of density functional theory calculations,
J. Mol. Struct., 1998, 443, 1-3, 175, https://doi.org/10.1016/S0022-2860(97)00398-0
. [all data]
Notes
Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
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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