HCNH+
- Formula: CH2N+
- Molecular weight: 28.0327
- CAS Registry Number: 38263-97-7
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Reaction thermochemistry data
Go To: Top, 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: Michael M. Meot-Ner (Mautner) and Sharon G. Lias
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
By formula: CH2N+ + H2O = (CH2N+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 27.4 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n |
ΔrH° | 29.6 | kcal/mol | ICR | Berman and Beauchamp, 1980 | gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992 |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.2 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n |
ΔrS° | 28.8 | cal/mol*K | N/A | Berman and Beauchamp, 1980 | gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992 |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
21.0 | 300. | ICR | Berman and Beauchamp, 1980 | gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992 |
By formula: CH2N+ + CHN = (CH2N+ • CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 26.1 | kcal/mol | PHPMS | Speller and Meot-Ner (Mautner), 1985 | gas phase; ΔrH, ΔrS too small compared with other nitrile dimers |
ΔrH° | 30.0 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1978 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.0 | cal/mol*K | PHPMS | Speller and Meot-Ner (Mautner), 1985 | gas phase; ΔrH, ΔrS too small compared with other nitrile dimers |
ΔrS° | 32. | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1978 | gas phase |
(CH2N+ • • ) + = (CH2N+ • 2 • )
By formula: (CH2N+ • CHN • H2O) + CHN = (CH2N+ • 2CHN • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.6 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n, Entropy change calculated or estimated |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24. | cal/mol*K | N/A | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n, Entropy change calculated or estimated |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 8.4 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n, Entropy change calculated or estimated |
(CH2N+ • • ) + = (CH2N+ • 2 • )
By formula: (CH2N+ • H2O • CHN) + H2O = (CH2N+ • 2H2O • CHN)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.9 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.8 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n |
By formula: (CH2N+ • CHN) + H2O = (CH2N+ • H2O • CHN)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 20.1 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.8 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n |
By formula: (CH2N+ • 2N2) + N2 = (CH2N+ • 3N2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 3.2 | kcal/mol | HPMS | Speller, Fitaire, et al., 1982 | gas phase; Entropy change is questionable |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 13.1 | cal/mol*K | HPMS | Speller, Fitaire, et al., 1982 | gas phase; Entropy change is questionable |
By formula: (CH2N+ • 2H2O) + H2O = (CH2N+ • 3H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.2 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.2 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n |
By formula: (CH2N+ • 3N2) + N2 = (CH2N+ • 4N2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 3.1 | kcal/mol | HPMS | Speller, Fitaire, et al., 1982 | gas phase; Entropy change is questionable |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 13.8 | cal/mol*K | HPMS | Speller, Fitaire, et al., 1982 | gas phase; Entropy change is questionable |
By formula: (CH2N+ • 4N2) + N2 = (CH2N+ • 5N2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 3.2 | kcal/mol | HPMS | Speller, Fitaire, et al., 1982 | gas phase; Entropy change is questionable |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 15.2 | cal/mol*K | HPMS | Speller, Fitaire, et al., 1982 | gas phase; Entropy change is questionable |
By formula: (CH2N+ • H2O) + H2O = (CH2N+ • 2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 21.4 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.3 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n |
By formula: CH2N+ + CH2O = (CH2N+ • CH2O)
Bond type: Hydrogen bonds of the type NH+-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 21.8 | kcal/mol | FA | Tanaka, Mackay, et al., 1978 | gas phase; switching reaction(HCNH+)HCN; Meot-Ner (Mautner), 1978 |
By formula: (CH2N+ • 2H2O) + CHN = (CH2N+ • CHN • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.9 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.1 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n |
By formula: (CH2N+ • H2O) + CHN = (CH2N+ • CHN • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 18.8 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.4 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n |
By formula: (CH2N+ • N2) + N2 = (CH2N+ • 2N2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 5.1 | kcal/mol | HPMS | Speller, Fitaire, et al., 1982 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.9 | cal/mol*K | HPMS | Speller, Fitaire, et al., 1982 | gas phase |
By formula: (CH2N+ • 3CHN) + CHN = (CH2N+ • 4CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.2 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1978 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.0 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1978 | gas phase |
By formula: (CH2N+ • 2CHN) + CHN = (CH2N+ • 3CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.8 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1978 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25. | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1978 | gas phase |
By formula: (CH2N+ • CHN) + CHN = (CH2N+ • 2CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.8 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1978 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23. | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1978 | gas phase |
By formula: CH2N+ + N2 = (CH2N+ • N2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.6 | kcal/mol | HPMS | Speller, Fitaire, et al., 1982 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.2 | cal/mol*K | HPMS | Speller, Fitaire, et al., 1982 | gas phase |
References
Go To: Top, Reaction thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Meot-Ner (Mautner) and Speller, 1989
Meot-Ner (Mautner), M.; Speller, C.V.,
Multicomponent Cluster Ions.3. Comparative Stabilities of Cationic and Anionic Hydrogen Bonded Networks. Mixed Clusters of Water and Hydrogen Cyanide,
J. Phys. Chem., 1989, 93, 6580. [all data]
Berman and Beauchamp, 1980
Berman, D.W.; Beauchamp, J.L.,
A Novel Bimolecular Reaction Sequence Yielding H(OH2)2+ at Low Pressures. Ion Cyclotron Resonance Studies of the Reaction of Doubly Solvated Protons,
J. Phys. Chem., 1980, 84, 18, 2233, https://doi.org/10.1021/j100455a004
. [all data]
Lias, Liebman, et al., 1984
Lias, S.G.; Liebman, J.F.; Levin, R.D.,
Evaluated gas phase basicities and proton affinities of molecules heats of formation of protonated molecules,
J. Phys. Chem. Ref. Data, 1984, 13, 695. [all data]
Fehsenfeld, Dotan, et al., 1978
Fehsenfeld, F.C.; Dotan, I.; Albritton, D.L.; Howard, C.J.; Ferguson, E.E.,
Stratospheric Positive Ion Chemistry of Formaldehyde and Methanol,
J. Geophys. Res., 1978, 83, C3, 1333, https://doi.org/10.1029/JC083iC03p01333
. [all data]
Meot-Ner (Mautner), 1992
Meot-Ner (Mautner), M.,
Intermolecular Forces in Organic Clusters,
J. Am. Chem. Soc., 1992, 114, 9, 3312, https://doi.org/10.1021/ja00035a024
. [all data]
Speller and Meot-Ner (Mautner), 1985
Speller, C.V.; Meot-Ner (Mautner), M.,
The Ionic Hydrogen Bond and Ion Solvation. 3. Bonds Involving Cyanides. Correlations with Proton Affinites,
J. Phys. Chem., 1985, 81, 24, 5217, https://doi.org/10.1021/j100270a020
. [all data]
Meot-Ner (Mautner), 1978
Meot-Ner (Mautner), M.,
Solvation of the Proton by HCN and CH3CN. Condensation of HCN with Ions in the Gas Phase.,
J. Am. Chem. Soc., 1978, 100, 15, 4694, https://doi.org/10.1021/ja00483a012
. [all data]
Speller, Fitaire, et al., 1982
Speller, C.V.; Fitaire, M.; Pointu, A.M.,
H2CN+.nN2 Clustering Formation and the Atmosphere of Titan,
Nature, 1982, 300, 5892, 507, https://doi.org/10.1038/300507a0
. [all data]
Tanaka, Mackay, et al., 1978
Tanaka, K.; Mackay, G.I.; Bohme, D.K.,
Rate and Equilibrium Constant Measurements for Gas-Phase Proton-Transfer Reactions Involving H2O, H2S, HCN, and H2CO,
Can. J. Chem., 1978, 56, 2, 193, https://doi.org/10.1139/v78-031
. [all data]
Notes
Go To: Top, Reaction thermochemistry data, References
- Symbols used in this document:
T Temperature ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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