CH2CN anion
- Formula: C2H2N-
- Molecular weight: 40.0445
- CAS Registry Number: 21438-99-3
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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
By formula: C2H2N- + H+ = C2H3N
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1560. ± 8.8 | kJ/mol | G+TS | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale |
ΔrH° | 1544. ± 19. | kJ/mol | CIDT | Graul and Squires, 1990 | gas phase |
ΔrH° | 1562. ± 11. | kJ/mol | G+TS | Cumming and Kebarle, 1978 | gas phase |
ΔrH° | 1568. ± 8.4 | kJ/mol | D-EA | Zimmerman and Brauman, 1977 | gas phase |
ΔrH° | 1534. ± 19. | kJ/mol | EIAE | Heni and Illenberger, 1986 | gas phase; From MeCN |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1528. ± 8.4 | kJ/mol | IMRE | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale |
ΔrG° | 1530. ± 8.4 | kJ/mol | IMRE | Cumming and Kebarle, 1978 | gas phase |
ΔrG° | 1536. ± 8.8 | kJ/mol | H-TS | Zimmerman and Brauman, 1977 | gas phase |
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.
Bartmess, Scott, et al., 1979
Bartmess, J.E.; Scott, J.A.; McIver, R.T., Jr.,
The gas phase acidity scale from methanol to phenol,
J. Am. Chem. Soc., 1979, 101, 6047. [all data]
Graul and Squires, 1990
Graul, S.T.; Squires, R.R.,
Gas-Phase Acidities Derived from Threshold Energies for Activated Reactions,
J. Am. Chem. Soc., 1990, 112, 7, 2517, https://doi.org/10.1021/ja00163a007
. [all data]
Cumming and Kebarle, 1978
Cumming, J.B.; Kebarle, P.,
Summary of gas phase measurements involving acids AH. Entropy changes in proton transfer reactions involving negative ions. Bond dissociation energies D(A-H) and electron affinities EA(A),
Can. J. Chem., 1978, 56, 1. [all data]
Zimmerman and Brauman, 1977
Zimmerman, A.H.; Brauman, J.I.,
Electron photodetachment from negative ions of C2v symmetry. Electron affinities of allyl and cyanomethyl radicals,
J. Am. Chem. Soc., 1977, 99, 3565. [all data]
Heni and Illenberger, 1986
Heni, M.; Illenberger, E.,
Electron attachment by saturated nitriles. Acrylonitrile (CH2H3CN), and benzonitrile (C6H5CN),
Int. J. Mass Spectrom. Ion Phys., 1986, 73, 127. [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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