HCNH+
- Formula: CH2N+
- Molecular weight: 28.0327
- CAS Registry Number: 38263-97-7
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Ion clustering data
Go To: Top, Vibrational and/or electronic energy levels, 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. 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 |
Vibrational and/or electronic energy levels
Go To: Top, Ion clustering 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: Marilyn E. Jacox
State: X
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
Σ | 1 | NH stretch | 3482.84 | gas | LD | Altman, Crofton, et al., 1984 Altman, Crofton, et al., 1984, 2 | |
2 | CH stretch | 3187.86 | gas | LD | Altman, Crofton, et al., 1984 Altman, Crofton, et al., 1984, 2 | ||
3 | CN stretch | 2155.70 | gas | DL | Kajita, Kawaguchi, et al., 1988 Liu, Lee, et al., 1988 | ||
Π | 4 | HCN bend | 801.59 | gas | DL | Tanaka, Kawaguchi, et al., 1986 | |
5 | HNC bend | 645.92 | gas | DL | Ho, Blom, et al., 1987 | ||
Additional references: Jacox, 1994, page 138; Jacox, 2003, page 170; Bogey, Demuynck, et al., 1985; Amano and Tanaka, 1986; Araki, Ozeki, et al., 1998; Amano, Hashimoto, et al., 2006
References
Go To: Top, Ion clustering data, Vibrational and/or electronic energy levels, 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]
Altman, Crofton, et al., 1984
Altman, R.S.; Crofton, M.W.; Oka, T.,
Observation of the infrared ν2 band (CH stretch) of protonated hydrogen cyanide HCNH+,
J. Chem. Phys., 1984, 80, 8, 3911, https://doi.org/10.1063/1.447173
. [all data]
Altman, Crofton, et al., 1984, 2
Altman, R.S.; Crofton, M.W.; Oka, T.,
High resolution infrared spectroscopy of the ν1 (NH stretch) and ν2 (CH stretch) bands of HCNH+,
J. Chem. Phys., 1984, 81, 10, 4255, https://doi.org/10.1063/1.447433
. [all data]
Kajita, Kawaguchi, et al., 1988
Kajita, M.; Kawaguchi, K.; Hirota, E.,
Diode laser spectroscopy of the ν3 (CN stretch) band of HCNH+,
J. Mol. Spectrosc., 1988, 127, 1, 275, https://doi.org/10.1016/0022-2852(88)90026-4
. [all data]
Liu, Lee, et al., 1988
Liu, D.-J.; Lee, S.-T.; Oka, T.,
The ν3 fundamental band of HCNH+ and the 2ν3 ← ν3 and ν2 + ν3 ← ν2 hot bands of HCO+,
J. Mol. Spectrosc., 1988, 128, 1, 236, https://doi.org/10.1016/0022-2852(88)90221-4
. [all data]
Tanaka, Kawaguchi, et al., 1986
Tanaka, K.; Kawaguchi, K.; Hirota, E.,
Diode laser spectroscopy of the ν4 (HCN bend) band of HCNH+,
J. Mol. Spectrosc., 1986, 117, 2, 408, https://doi.org/10.1016/0022-2852(86)90164-5
. [all data]
Ho, Blom, et al., 1987
Ho, W.-C.; Blom, C.E.; Liu, D.-J.; Oka, T.,
The infrared ν5 band (HNC bend) of protonated hydrogen cyanide, HCNH+,
J. Mol. Spectrosc., 1987, 123, 1, 251, https://doi.org/10.1016/0022-2852(87)90275-X
. [all data]
Jacox, 1994
Jacox, M.E.,
Vibrational and electronic energy levels of polyatomic transient molecules, American Chemical Society, Washington, DC, 1994, 464. [all data]
Jacox, 2003
Jacox, M.E.,
Vibrational and electronic energy levels of polyatomic transient molecules: supplement B,
J. Phys. Chem. Ref. Data, 2003, 32, 1, 1-441, https://doi.org/10.1063/1.1497629
. [all data]
Bogey, Demuynck, et al., 1985
Bogey, M.; Demuynck, C.; Destombes, J.L.,
Millimeter and submillimeter wave spectrum of HCNH+,
J. Chem. Phys., 1985, 83, 7, 3703, https://doi.org/10.1063/1.449126
. [all data]
Amano and Tanaka, 1986
Amano, T.; Tanaka, K.,
Difference frequency laser spectroscopy of HCNH+: Observation of the isotopic species and the hot bands,
J. Mol. Spectrosc., 1986, 116, 1, 112, https://doi.org/10.1016/0022-2852(86)90257-2
. [all data]
Araki, Ozeki, et al., 1998
Araki, M.; Ozeki, H.; Saito, S.,
Laboratory Measurement of the Pure Rotational Transitions of HCNH[TSUP]+[/TSUP] and Its Isotopic Species,
Astrophys. J., 1998, 496, 1, L53, https://doi.org/10.1086/311245
. [all data]
Amano, Hashimoto, et al., 2006
Amano, T.; Hashimoto, K.; Hirao, T.,
Submillimeter-wave spectroscopy of HCNH+ and CH3CNH+,
J. Mol. Struct., 2006, 795, 1-3, 190, https://doi.org/10.1016/j.molstruc.2006.02.035
. [all data]
Notes
Go To: Top, Ion clustering data, Vibrational and/or electronic energy levels, 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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