HCNH+
- Formula: CH2N+
- Molecular weight: 28.0327
- CAS Registry Number: 38263-97-7
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Ion clustering 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: 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. Searches may be limited to ion clustering reactions. A general reaction search form is also available.
Clustering reactions
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 |
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+ • 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+ • 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+ • 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 |
(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 |
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+ + 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+ • 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+ • 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 |
(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+ • 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+ • 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+ + 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 |
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+ • 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+ • 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 |
References
Go To: Top, Ion clustering data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
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]
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]
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, 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]
Notes
Go To: Top, Ion clustering 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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