HCNN anion
- Formula: CHN2-
- Molecular weight: 41.0326
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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
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
CHN2- + =
By formula: CHN2- + H+ = CH2N2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 371.4 ± 2.2 | kcal/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° | 364.1 ± 2.0 | kcal/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° | 365.0 ± 4.0 | kcal/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 |
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
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° | 371.4 ± 2.2 | kcal/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° | 364.1 ± 2.0 | kcal/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° | 365.0 ± 4.0 | kcal/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, 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.
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, Reaction thermochemistry data, 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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