HCNN anion
- Formula: CHN2-
- Molecular weight: 41.0326
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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
Electron affinity of neutral species
| EAneutral (eV) | Method | Reference | Comment |
|---|---|---|---|
| 1.6840 ± 0.0060 | LPES | Clifford, Wenthold, et al., 1998 |
Protonation reactions
CHN2- + =
By formula: CHN2- + H+ = CH2N2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 1554. ± 9.2 | kJ/mol | G+TS | Clifford, Wenthold, et al., 1998 | gas phase; Lit values of DfH(H2CNN) range from 71 (78BEN) to 51 ( Laufer and Okabe, 1972). Here we use the computational ( Dixon, de Jong, et al., 2005) agreeing with G3MP2B3 |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 1523. ± 8.4 | kJ/mol | IMRE | Clifford, Wenthold, et al., 1998 | gas phase; Lit values of DfH(H2CNN) range from 71 (78BEN) to 51 ( Laufer and Okabe, 1972). Here we use the computational ( Dixon, de Jong, et al., 2005) agreeing with G3MP2B3 |
| ΔrG° | 1527. ± 17. | kJ/mol | IMRB | DePuy, Van Doren, et al., 1989 | gas phase; Near HF, between H2O2 & acetone. G2 calculations( Gordon and Kass, 1997) give ΔHf(CH2N2)=63.1 kcal/mol |
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.
Clifford, Wenthold, et al., 1998
Clifford, E.P.; Wenthold, P.G.; Lineberger, W.C.; Peterssom, G.A.; Broaddus, K.M.; Kass, S.R.; Kato, S.,
Properties of Diazocarbene [CNN] and the diazomethyl Radical [HCNN] via Ion Chemistry and Spectroscopy,
J. Phys. Chem. A, 1998, 102, 36, 7100, https://doi.org/10.1021/jp9802735
. [all data]
Laufer and Okabe, 1972
Laufer, A.H.; Okabe, H.,
J. Phys. Chem., 1972, 76, 3504. [all data]
Dixon, de Jong, et al., 2005
Dixon, D.A.; de Jong, W.A.; Peterson, K.A.; McMahon, T.B.,
Methyl cation affinities of rare gases and nitrogen and the heat of formation of diazomethane,
J. Phys. Chem. A, 2005, 109, 18, 4073-4080, https://doi.org/10.1021/jp044561e
. [all data]
DePuy, Van Doren, et al., 1989
DePuy, C.H.; Van Doren, J.M.; Gronert, S.; Kass, S.R.; Motell, E.L.; Ellison, G.B.; Bierbaum, V.M.,
Gas-Phase Negative-Ion Chemistry of Diazomethane,
J. Org. Chem., 1989, 54, 8, 1846, https://doi.org/10.1021/jo00269a020
. [all data]
Gordon and Kass, 1997
Gordon, M.S.; Kass, S.R.,
CHN2-: A biradical anion and a potentially new type of reactive intermediate (vol 99, pg 6548, 1995),
J. Phys. Chem. A, 1997, 101, 42, 7922-7922, https://doi.org/10.1021/jp972321b
. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
EAneutral Electron affinity of neutral species 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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