ClCH2 anion
- Formula: CH2Cl-
- Molecular weight: 49.480
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Reaction thermochemistry data
Go To: Top, 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
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Individual Reactions
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 |
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
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, 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.
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, 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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