Cl2CH anion
- Formula: CHCl2-
- Molecular weight: 83.925
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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
CHCl2- + =
By formula: CHCl2- + H+ = CH2Cl2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 375.7 ± 2.2 | kcal/mol | G+TS | Born, Ingemann, et al., 2000 | gas phase; D-EA from this reference yields BDE = 96.0±3.2 kcal/mol |
| ΔrH° | 374.5 ± 3.1 | kcal/mol | G+TS | Bohme, Lee-Ruff, et al., 1972 | gas phase; Comparable to DMSO; value altered from reference due to change in acidity scale |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 368.0 ± 2.0 | kcal/mol | IMRE | Born, Ingemann, et al., 2000 | gas phase; D-EA from this reference yields BDE = 96.0±3.2 kcal/mol |
| ΔrG° | 369.00 ± 0.70 | kcal/mol | IMRE | Poutsma, Paulino, et al., 1997 | gas phase; relative to tBuOH at ΔGacid = 369.3 |
| ΔrG° | 366.8 ± 3.0 | kcal/mol | IMRB | Bohme, Lee-Ruff, et al., 1972 | gas phase; Comparable to DMSO; value altered from reference due to change in acidity scale |
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
CHCl2- + =
By formula: CHCl2- + H+ = CH2Cl2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 375.7 ± 2.2 | kcal/mol | G+TS | Born, Ingemann, et al., 2000 | gas phase; D-EA from this reference yields BDE = 96.0±3.2 kcal/mol |
| ΔrH° | 374.5 ± 3.1 | kcal/mol | G+TS | Bohme, Lee-Ruff, et al., 1972 | gas phase; Comparable to DMSO; value altered from reference due to change in acidity scale |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 368.0 ± 2.0 | kcal/mol | IMRE | Born, Ingemann, et al., 2000 | gas phase; D-EA from this reference yields BDE = 96.0±3.2 kcal/mol |
| ΔrG° | 369.00 ± 0.70 | kcal/mol | IMRE | Poutsma, Paulino, et al., 1997 | gas phase; relative to tBuOH at ΔGacid = 369.3 |
| ΔrG° | 366.8 ± 3.0 | kcal/mol | IMRB | Bohme, Lee-Ruff, et al., 1972 | gas phase; Comparable to DMSO; value altered from reference due to change in acidity scale |
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.
Born, Ingemann, et al., 2000
Born, M.; Ingemann, S.; Nibbering, N.M.M.,
Thermochemical properties of halogen-substituted methanes, methyl radicals, and carbenes in the gas phase,
Int. J. Mass Spectrom., 2000, 194, 2-3, 103-113, https://doi.org/10.1016/S1387-3806(99)00125-6
. [all data]
Bohme, Lee-Ruff, et al., 1972
Bohme, D.K.; Lee-Ruff, E.; Young, L.B.,
Acidity order of selected bronsted acids in the gas phase at 300K,
J. Am. Chem. Soc., 1972, 94, 5153. [all data]
Poutsma, Paulino, et al., 1997
Poutsma, J.C.; Paulino, J.A.; Squires, R.R.,
Absolute Heats of Formation of CHCl, CHF, and CClF. A Gas-Phase Experimental and G2 Theoretical Study.,
J. Phys. Chem. A, 1997, 101, 29, 5327, https://doi.org/10.1021/jp970778f
. [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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