PhSiH2 anion
- Formula: C6H7Si-
- Molecular weight: 107.2058
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Reaction thermochemistry 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
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Individual Reactions
C6H7Si- + =
By formula: C6H7Si- + H+ = C6H8Si
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 369.2 ± 2.1 | kcal/mol | G+TS | Gal, Decouzon, et al., 2001 | gas phase |
| ΔrH° | 368.1 ± 2.1 | kcal/mol | G+TS | Wetzel, Salomon, et al., 1989 | gas phase; 1.2 kcal/mol stronger than tBuCH(iPr)OH; value altered from reference due to change in acidity scale |
| ΔrH° | 368.7 ± 3.0 | kcal/mol | D-EA | Wetzel, Salomon, et al., 1989 | gas phase; D-EA cycle give BDE=87.7±2.2 kcal/mol |
| ΔrH° | 370.7 ± 4.1 | kcal/mol | G+TS | Damrauer, Kass, et al., 1988 | gas phase; Between HF and acetone |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 362.1 ± 2.0 | kcal/mol | IMRE | Gal, Decouzon, et al., 2001 | gas phase |
| ΔrG° | 361.0 ± 2.0 | kcal/mol | IMRE | Wetzel, Salomon, et al., 1989 | gas phase; 1.2 kcal/mol stronger than tBuCH(iPr)OH; value altered from reference due to change in acidity scale |
| ΔrG° | 361.5 ± 3.1 | kcal/mol | H-TS | Wetzel, Salomon, et al., 1989 | gas phase; D-EA cycle give BDE=87.7±2.2 kcal/mol |
| ΔrG° | 363.6 ± 4.0 | kcal/mol | IMRB | Damrauer, Kass, et al., 1988 | gas phase; Between HF and acetone |
Gas phase ion energetics data
Go To: Top, Reaction thermochemistry 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: John E. Bartmess
Protonation reactions
C6H7Si- + =
By formula: C6H7Si- + H+ = C6H8Si
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 369.2 ± 2.1 | kcal/mol | G+TS | Gal, Decouzon, et al., 2001 | gas phase |
| ΔrH° | 368.1 ± 2.1 | kcal/mol | G+TS | Wetzel, Salomon, et al., 1989 | gas phase; 1.2 kcal/mol stronger than tBuCH(iPr)OH; value altered from reference due to change in acidity scale |
| ΔrH° | 368.7 ± 3.0 | kcal/mol | D-EA | Wetzel, Salomon, et al., 1989 | gas phase; D-EA cycle give BDE=87.7±2.2 kcal/mol |
| ΔrH° | 370.7 ± 4.1 | kcal/mol | G+TS | Damrauer, Kass, et al., 1988 | gas phase; Between HF and acetone |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 362.1 ± 2.0 | kcal/mol | IMRE | Gal, Decouzon, et al., 2001 | gas phase |
| ΔrG° | 361.0 ± 2.0 | kcal/mol | IMRE | Wetzel, Salomon, et al., 1989 | gas phase; 1.2 kcal/mol stronger than tBuCH(iPr)OH; value altered from reference due to change in acidity scale |
| ΔrG° | 361.5 ± 3.1 | kcal/mol | H-TS | Wetzel, Salomon, et al., 1989 | gas phase; D-EA cycle give BDE=87.7±2.2 kcal/mol |
| ΔrG° | 363.6 ± 4.0 | kcal/mol | IMRB | Damrauer, Kass, et al., 1988 | gas phase; Between HF and acetone |
References
Go To: Top, Reaction thermochemistry data, 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.
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]
Notes
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, 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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