BrCH2 anion
- Formula: CH2Br-
- Molecular weight: 93.931
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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
CH2Br- + =
By formula: CH2Br- + H+ = CH3Br
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 396.7 ± 2.5 | kcal/mol | Endo | Hierl, Henchman, et al., 1992 | gas phase; HO- + MeBr:6.0±2.3 kcal/mol endo. "Better than Ingemann and Nibbering, 19852" 2.0 kcal would not show barrier |
| ΔrH° | 394.3 ± 4.6 | kcal/mol | EIAE | Rogers, Simpson, et al., 2010 | gas phase |
| ΔrH° | 392.7 ± 3.1 | kcal/mol | G+TS | Ingemann and Nibbering, 1985, 2 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 389.7 ± 3.4 | kcal/mol | H-TS | Hierl, Henchman, et al., 1992 | gas phase; HO- + MeBr:6.0±2.3 kcal/mol endo. "Better than Ingemann and Nibbering, 19852" 2.0 kcal would not show barrier |
| ΔrG° | 385.8 ± 3.0 | kcal/mol | IMRB | Ingemann and Nibbering, 1985, 2 | gas phase |
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
CH2Br- + =
By formula: CH2Br- + H+ = CH3Br
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 396.7 ± 2.5 | kcal/mol | Endo | Hierl, Henchman, et al., 1992 | gas phase; HO- + MeBr:6.0±2.3 kcal/mol endo. "Better than Ingemann and Nibbering, 19852" 2.0 kcal would not show barrier |
| ΔrH° | 394.3 ± 4.6 | kcal/mol | EIAE | Rogers, Simpson, et al., 2010 | gas phase |
| ΔrH° | 392.7 ± 3.1 | kcal/mol | G+TS | Ingemann and Nibbering, 1985, 2 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 389.7 ± 3.4 | kcal/mol | H-TS | Hierl, Henchman, et al., 1992 | gas phase; HO- + MeBr:6.0±2.3 kcal/mol endo. "Better than Ingemann and Nibbering, 19852" 2.0 kcal would not show barrier |
| ΔrG° | 385.8 ± 3.0 | kcal/mol | IMRB | Ingemann and Nibbering, 1985, 2 | gas phase |
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 chemistry of alpha-thio carbanions,
Can. J. Chem., 1985, 62, 2273. [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]
Ingemann and Nibbering, 1985, 2
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]
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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