ClCH2 anion
- Formula: CH2Cl-
- Molecular weight: 49.480
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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
Protonation reactions
CH2Cl- + =
By formula: CH2Cl- + H+ = CH3Cl
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 399.6 ± 2.5 | kcal/mol | Endo | Hierl, Henchman, et al., 1992 | gas phase; HO- + ClCH3: 8.8±2.3 kcal/mol endo |
| ΔrH° | 396.0 ± 3.1 | kcal/mol | G+TS | Ingemann and Nibbering, 1985 | gas phase |
| ΔrH° | 396.6 ± 4.6 | kcal/mol | EIAE | Rogers, Simpson, et al., 2010 | gas phase |
| ΔrH° | 400.0 ± 2.0 | kcal/mol | IMRB | Poutsma, Nash, et al., 1997 | gas phase |
| ΔrH° | 399.1 ± 4.1 | kcal/mol | G+TS | Henchman, Hierl, et al., 1985 | gas phase; HO- + MeCl: 0.38±0.1 eV endo |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 389.1 ± 3.0 | kcal/mol | IMRE | Ingemann and Nibbering, 1985 | gas phase |
| ΔrG° | 392.2 ± 4.0 | kcal/mol | IMRB | Henchman, Hierl, et al., 1985 | gas phase; HO- + MeCl: 0.38±0.1 eV endo |
References
Go To: Top, 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.
Hierl, Henchman, et al., 1992
Hierl, P.M.; Henchman, M.J.; Paulson, J.F.,
Threshold Energies for the Reactions HO- + MeX - MeOH + X- measured by Tandem Mass Spectrometry: Acidities of MeCl and MeBr,
Int. J. Mass Spectrom. Ion Proc., 1992, 117, 475, https://doi.org/10.1016/0168-1176(92)80109-E
. [all data]
Ingemann and Nibbering, 1985
Ingemann, S.; Nibbering, N.M.M.,
Gas-phase acidity of CH3X [X = P(CH3)2, SCH3, F, Cl, Br, I] compounds,
J. Chem. Soc. Perkin Trans. 2, 1985, 837. [all data]
Rogers, Simpson, et al., 2010
Rogers, N.J.; Simpson, M.J.; Tuckett, R.P.; Dunn, K.F.; Latimer, C.J.,
Vacuum-UV negative photoion spectroscopy of CH3F, CH3Cl and CH3Br,
Phys. Chem. Chem. Phys., 2010, 12, 36, 10971-10980, https://doi.org/10.1039/c0cp00234h
. [all data]
Poutsma, Nash, et al., 1997
Poutsma, J.C.; Nash, J.J.; Paulino, J.A.; Squires, R.R.,
Absolute Heats of Formation of Phenylcarbene and Vinylcarbene,
J. Am. Chem. Soc., 1997, 119, 20, 4686, https://doi.org/10.1021/ja963918s
. [all data]
Henchman, Hierl, et al., 1985
Henchman, M.; Hierl, P.M.; Paulson, J.F.,
Nucleophilic displacement vs. proton tranfer: The system OH-.(H2O)0,1,2 + CH3Cl in the relative energy range 0.03-5 eV,
J. Am. Chem. Soc., 1985, 107, 2812. [all data]
Notes
Go To: Top, 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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