HCNH+


Reaction thermochemistry 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. 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

CH2N+ + Water = (CH2N+ • Water)

By formula: CH2N+ + H2O = (CH2N+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr27.4kcal/molPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n
Δr29.6kcal/molICRBerman and Beauchamp, 1980gas 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
Δr24.2cal/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n
Δr28.8cal/mol*KN/ABerman and Beauchamp, 1980gas 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
21.0300.ICRBerman and Beauchamp, 1980gas 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

CH2N+ + Hydrogen cyanide = (CH2N+ • Hydrogen cyanide)

By formula: CH2N+ + CHN = (CH2N+ • CHN)

Quantity Value Units Method Reference Comment
Δr26.1kcal/molPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; ΔrH, ΔrS too small compared with other nitrile dimers
Δr30.0kcal/molPHPMSMeot-Ner (Mautner), 1978gas phase
Quantity Value Units Method Reference Comment
Δr23.0cal/mol*KPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; ΔrH, ΔrS too small compared with other nitrile dimers
Δr32.cal/mol*KPHPMSMeot-Ner (Mautner), 1978gas phase

(CH2N+ • Hydrogen cyanide • Water) + Hydrogen cyanide = (CH2N+ • 2Hydrogen cyanide • Water)

By formula: (CH2N+ • CHN • H2O) + CHN = (CH2N+ • 2CHN • H2O)

Quantity Value Units Method Reference Comment
Δr15.6kcal/molPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n, Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Δr24.cal/mol*KN/AMeot-Ner (Mautner) and Speller, 1989gas phase; n, Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Δr8.4kcal/molPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n, Entropy change calculated or estimated

(CH2N+ • Water • Hydrogen cyanide) + Water = (CH2N+ • 2Water • Hydrogen cyanide)

By formula: (CH2N+ • H2O • CHN) + H2O = (CH2N+ • 2H2O • CHN)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr16.9kcal/molPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n
Quantity Value Units Method Reference Comment
Δr23.8cal/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n

(CH2N+ • Hydrogen cyanide) + Water = (CH2N+ • Water • Hydrogen cyanide)

By formula: (CH2N+ • CHN) + H2O = (CH2N+ • H2O • CHN)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr20.1kcal/molPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n
Quantity Value Units Method Reference Comment
Δr20.8cal/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n

(CH2N+ • 2Nitrogen) + Nitrogen = (CH2N+ • 3Nitrogen)

By formula: (CH2N+ • 2N2) + N2 = (CH2N+ • 3N2)

Quantity Value Units Method Reference Comment
Δr3.2kcal/molHPMSSpeller, Fitaire, et al., 1982gas phase; Entropy change is questionable
Quantity Value Units Method Reference Comment
Δr13.1cal/mol*KHPMSSpeller, Fitaire, et al., 1982gas phase; Entropy change is questionable

(CH2N+ • 2Water) + Water = (CH2N+ • 3Water)

By formula: (CH2N+ • 2H2O) + H2O = (CH2N+ • 3H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr17.2kcal/molPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n
Quantity Value Units Method Reference Comment
Δr26.2cal/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n

(CH2N+ • 3Nitrogen) + Nitrogen = (CH2N+ • 4Nitrogen)

By formula: (CH2N+ • 3N2) + N2 = (CH2N+ • 4N2)

Quantity Value Units Method Reference Comment
Δr3.1kcal/molHPMSSpeller, Fitaire, et al., 1982gas phase; Entropy change is questionable
Quantity Value Units Method Reference Comment
Δr13.8cal/mol*KHPMSSpeller, Fitaire, et al., 1982gas phase; Entropy change is questionable

(CH2N+ • 4Nitrogen) + Nitrogen = (CH2N+ • 5Nitrogen)

By formula: (CH2N+ • 4N2) + N2 = (CH2N+ • 5N2)

Quantity Value Units Method Reference Comment
Δr3.2kcal/molHPMSSpeller, Fitaire, et al., 1982gas phase; Entropy change is questionable
Quantity Value Units Method Reference Comment
Δr15.2cal/mol*KHPMSSpeller, Fitaire, et al., 1982gas phase; Entropy change is questionable

(CH2N+ • Water) + Water = (CH2N+ • 2Water)

By formula: (CH2N+ • H2O) + H2O = (CH2N+ • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr21.4kcal/molPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n
Quantity Value Units Method Reference Comment
Δr25.3cal/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n

CH2N+ + Formaldehyde = (CH2N+ • Formaldehyde)

By formula: CH2N+ + CH2O = (CH2N+ • CH2O)

Bond type: Hydrogen bonds of the type NH+-O between organics

Quantity Value Units Method Reference Comment
Δr21.8kcal/molFATanaka, Mackay, et al., 1978gas phase; switching reaction(HCNH+)HCN; Meot-Ner (Mautner), 1978

(CH2N+ • 2Water) + Hydrogen cyanide = (CH2N+ • Hydrogen cyanide • 2Water)

By formula: (CH2N+ • 2H2O) + CHN = (CH2N+ • CHN • 2H2O)

Quantity Value Units Method Reference Comment
Δr16.9kcal/molPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n
Quantity Value Units Method Reference Comment
Δr24.1cal/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n

(CH2N+ • Water) + Hydrogen cyanide = (CH2N+ • Hydrogen cyanide • Water)

By formula: (CH2N+ • H2O) + CHN = (CH2N+ • CHN • H2O)

Quantity Value Units Method Reference Comment
Δr18.8kcal/molPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n
Quantity Value Units Method Reference Comment
Δr20.4cal/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n

(CH2N+ • Nitrogen) + Nitrogen = (CH2N+ • 2Nitrogen)

By formula: (CH2N+ • N2) + N2 = (CH2N+ • 2N2)

Quantity Value Units Method Reference Comment
Δr5.1kcal/molHPMSSpeller, Fitaire, et al., 1982gas phase
Quantity Value Units Method Reference Comment
Δr19.9cal/mol*KHPMSSpeller, Fitaire, et al., 1982gas phase

(CH2N+ • 3Hydrogen cyanide) + Hydrogen cyanide = (CH2N+ • 4Hydrogen cyanide)

By formula: (CH2N+ • 3CHN) + CHN = (CH2N+ • 4CHN)

Quantity Value Units Method Reference Comment
Δr9.2kcal/molPHPMSMeot-Ner (Mautner), 1978gas phase
Quantity Value Units Method Reference Comment
Δr26.0cal/mol*KPHPMSMeot-Ner (Mautner), 1978gas phase

(CH2N+ • 2Hydrogen cyanide) + Hydrogen cyanide = (CH2N+ • 3Hydrogen cyanide)

By formula: (CH2N+ • 2CHN) + CHN = (CH2N+ • 3CHN)

Quantity Value Units Method Reference Comment
Δr11.8kcal/molPHPMSMeot-Ner (Mautner), 1978gas phase
Quantity Value Units Method Reference Comment
Δr25.cal/mol*KPHPMSMeot-Ner (Mautner), 1978gas phase

(CH2N+ • Hydrogen cyanide) + Hydrogen cyanide = (CH2N+ • 2Hydrogen cyanide)

By formula: (CH2N+ • CHN) + CHN = (CH2N+ • 2CHN)

Quantity Value Units Method Reference Comment
Δr13.8kcal/molPHPMSMeot-Ner (Mautner), 1978gas phase
Quantity Value Units Method Reference Comment
Δr23.cal/mol*KPHPMSMeot-Ner (Mautner), 1978gas phase

CH2N+ + Nitrogen = (CH2N+ • Nitrogen)

By formula: CH2N+ + N2 = (CH2N+ • N2)

Quantity Value Units Method Reference Comment
Δr7.6kcal/molHPMSSpeller, Fitaire, et al., 1982gas phase
Quantity Value Units Method Reference Comment
Δr22.2cal/mol*KHPMSSpeller, Fitaire, et al., 1982gas phase

Vibrational and/or electronic energy levels

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: 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, Reaction thermochemistry 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.

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]

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, Reaction thermochemistry data, Vibrational and/or electronic energy levels, References