O2C(CH2)6CO2 dianion
- Formula: C8H12O4-2
- Molecular weight: 172.1796
- CAS Registry Number: 764-55-6
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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 by: John E. Bartmess
Electron affinity of neutral species
EAneutral (eV) | Method | Reference | Comment |
---|---|---|---|
1.550 ± 0.050 | LPES | Yang, Fu, et al., 2004 | |
1.520 ± 0.090 | LPES | Ding, Wang, et al., 1998 |
Protonation reactions
C8H12O4-2 + = C8H13O4-2
By formula: C8H12O4-2 + H+ = C8H13O4-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 390.9 ± 3.2 | kcal/mol | D-EA | Yang, Fu, et al., 2004 | gas phase |
Ion clustering 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:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
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
C8H12O4-2 + = C8H13O4-2
By formula: C8H12O4-2 + H+ = C8H13O4-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 390.9 ± 3.2 | kcal/mol | D-EA | Yang, Fu, et al., 2004 | gas phase; B |
By formula: C8H12O4-2 + H2O = (C8H12O4-2 • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 6.7 ± 4.2 | kcal/mol | N/A | Ding, Wang, et al., 1998 | gas phase; Affinity is EA difference from next lower solvated ion.; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.4 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1995 | gas phase; M |
(C8H12O4-2 • ) + = (C8H12O4-2 • 2)
By formula: (C8H12O4-2 • H2O) + H2O = (C8H12O4-2 • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.1 ± 4.2 | kcal/mol | N/A | Ding, Wang, et al., 1998 | gas phase; Affinity is EA difference from next lower solvated ion.; B |
(C8H12O4-2 • 2) + = (C8H12O4-2 • 3)
By formula: (C8H12O4-2 • 2H2O) + H2O = (C8H12O4-2 • 3H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 7.80 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B,M |
(C8H12O4-2 • 3) + = (C8H12O4-2 • 4)
By formula: (C8H12O4-2 • 3H2O) + H2O = (C8H12O4-2 • 4H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 7.10 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B,M |
(C8H12O4-2 • 4) + = (C8H12O4-2 • 5)
By formula: (C8H12O4-2 • 4H2O) + H2O = (C8H12O4-2 • 5H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 6.10 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B,M |
(C8H12O4-2 • 5) + = (C8H12O4-2 • 6)
By formula: (C8H12O4-2 • 5H2O) + H2O = (C8H12O4-2 • 6H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 5.50 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B,M |
References
Go To: Top, 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.
Yang, Fu, et al., 2004
Yang, X.; Fu, Y.J.; Wang, X.B.; Slavicek, P.; Mucha, M.; Jungwirth, P.; Wang, L.S.,
Solvent-mediated folding of a doubly charged anion,
J. Am. Chem. Soc., 2004, 126, 3, 876-883, https://doi.org/10.1021/ja038108c
. [all data]
Ding, Wang, et al., 1998
Ding, C.F.; Wang, X.B.; Wang, L.S.,
Photoelectron spectroscopy of doubly charged anions: Intramolecular Coulomb repulsion and solvent stabilization,
J. Phys. Chem. A, 1998, 102, 45, 8633-8636, https://doi.org/10.1021/jp982698x
. [all data]
Blades, Klassen, et al., 1995
Blades, A.T.; Klassen, J.S.; Kebarle, P.,
Free Energies of Hydration in the Gas Phase on the Anions of Some Oxo Acids of C, N, S, P, Cl and I,
J. Am. Chem. Soc., 1995, 117, 42, 10563, https://doi.org/10.1021/ja00147a019
. [all data]
Notes
Go To: Top, Gas phase ion energetics data, Ion clustering data, References
- Symbols used in this document:
EAneutral Electron affinity of neutral species 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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