pMe-C6H4CðC anion
- Formula: C9H7-
- Molecular weight: 115.1524
- Information on this page:
- Options:
Reaction thermochemistry data
Go To: Top, Gas phase ion energetics data, Ion clustering 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
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 371.7 ± 2.3 | kcal/mol | G+TS | Chabinyc and Brauman, 1999 | gas phase; reported as 365.2/372.8, relative to MeOH at 375.2; value altered from reference due to change in acidity scale |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 364.0 ± 2.0 | kcal/mol | IMRE | Chabinyc and Brauman, 1999 | gas phase; reported as 365.2/372.8, relative to MeOH at 375.2; value altered from reference due to change in acidity scale |
C9H7- + = C10H11O-
By formula: C9H7- + CH4O = C10H11O-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 21.6 ± 2.0 | kcal/mol | IMRE | Chabinyc and Brauman, 1999 | gas phase; Anchored to MeOH ΔGacid=375.2 |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 10.20 | kcal/mol | IMRE | Mustanir, Matsuoka, et al., 2006 | gas phase |
ΔrG° | 11.1 ± 2.0 | kcal/mol | IMRE | Chabinyc and Brauman, 1999 | gas phase; Anchored to MeOH ΔGacid=375.2 |
C9H7- + = C10H8F3-
By formula: C9H7- + CHF3 = C10H8F3-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 18.8 ± 1.0 | kcal/mol | IMRE | Chabinyc and Brauman, 2000 | gas phase; Original dG=8.3 at 350K; dS based on symmetry alone |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 9.9 ± 1.0 | kcal/mol | IMRE | Chabinyc and Brauman, 2000 | gas phase; Original dG=8.3 at 350K; dS based on symmetry alone |
Gas phase ion energetics data
Go To: Top, Reaction thermochemistry data, Ion clustering 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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 371.7 ± 2.3 | kcal/mol | G+TS | Chabinyc and Brauman, 1999 | gas phase; reported as 365.2/372.8, relative to MeOH at 375.2; value altered from reference due to change in acidity scale |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 364.0 ± 2.0 | kcal/mol | IMRE | Chabinyc and Brauman, 1999 | gas phase; reported as 365.2/372.8, relative to MeOH at 375.2; value altered from reference due to change in acidity scale |
Ion clustering data
Go To: Top, Reaction thermochemistry data, 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: John E. Bartmess
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.
Clustering reactions
C9H7- + = C10H8F3-
By formula: C9H7- + CHF3 = C10H8F3-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 18.8 ± 1.0 | kcal/mol | IMRE | Chabinyc and Brauman, 2000 | gas phase; Original dG=8.3 at 350K; dS based on symmetry alone |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 9.9 ± 1.0 | kcal/mol | IMRE | Chabinyc and Brauman, 2000 | gas phase; Original dG=8.3 at 350K; dS based on symmetry alone |
C9H7- + = C10H11O-
By formula: C9H7- + CH4O = C10H11O-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 21.6 ± 2.0 | kcal/mol | IMRE | Chabinyc and Brauman, 1999 | gas phase; Anchored to MeOH ΔGacid=375.2 |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 10.20 | kcal/mol | IMRE | Mustanir, Matsuoka, et al., 2006 | gas phase |
ΔrG° | 11.1 ± 2.0 | kcal/mol | IMRE | Chabinyc and Brauman, 1999 | gas phase; Anchored to MeOH ΔGacid=375.2 |
References
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Chabinyc and Brauman, 1999
Chabinyc, M.L.; Brauman, J.I.,
Hydrogen bond strength and acidity. Structural and energetic correlations for acetylides and alcohols,
J. Phys. Chem. A, 1999, 103, 46, 9163-9166, https://doi.org/10.1021/jp992852v
. [all data]
Mustanir, Matsuoka, et al., 2006
Mustanir; Matsuoka, M.; Mishima, M.; Koch, H.,
Stability of complexes of phenylacetylides and benzyl alkoxides with methanol in the gas phase. Acid-base correlation in the ionic hydrogen-bond strength,
Bull. Chem. Soc. Japan, 2006, 79, 7, 1118-1125, https://doi.org/10.1246/bcsj.79.1118
. [all data]
Chabinyc and Brauman, 2000
Chabinyc, M.L.; Brauman, J.I.,
Unusual ionic hydrogen bonds: Complexes of acetylides and fluoroform,
J. Am. Chem. Soc., 2000, 122, 36, 8739-8745, https://doi.org/10.1021/ja000806z
. [all data]
Notes
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering 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
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.