Acetonitrile, protonated

• Formula: C₂H₄N⁺
• Molecular weight: 42.0593
• Information on this page:
  • Ion clustering data
  • References
  • Notes
• Other data available:
  • Reaction thermochemistry data
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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

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Clustering reactions

C₂H₄N⁺ +  = (C₂H₄N⁺ • )

By formula: C₂H₄N⁺ + CHN = (C₂H₄N⁺ • CHN)

(C₂H₄N⁺ • ) +  = (C₂H₄N⁺ • 2)

By formula: (C₂H₄N⁺ • CH₄O) + CH₄O = (C₂H₄N⁺ • 2CH₄O)

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

(C₂H₄N⁺ • 2) +  = (C₂H₄N⁺ • 3)

By formula: (C₂H₄N⁺ • 2CH₄O) + CH₄O = (C₂H₄N⁺ • 3CH₄O)

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

(C₂H₄N⁺ • ) +  = (C₂H₄N⁺ •  • )

By formula: (C₂H₄N⁺ • CH₄O) + C₂H₃N = (C₂H₄N⁺ • C₂H₃N • CH₄O)

(C₂H₄N⁺ •  • ) +  = (C₂H₄N⁺ • 2 • )

By formula: (C₂H₄N⁺ • CH₄O • C₂H₃N) + CH₄O = (C₂H₄N⁺ • 2CH₄O • C₂H₃N)

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

C₂H₄N⁺ +  = (C₂H₄N⁺ • )

By formula: C₂H₄N⁺ + C₂H₃N = (C₂H₄N⁺ • C₂H₃N)

(C₂H₄N⁺ •  • ) +  = (C₂H₄N⁺ • 2 • )

By formula: (C₂H₄N⁺ • C₂H₃N • CH₄O) + C₂H₃N = (C₂H₄N⁺ • 2C₂H₃N • CH₄O)

(C₂H₄N⁺ •  • 2) +  = (C₂H₄N⁺ • 2 • 2)

By formula: (C₂H₄N⁺ • C₂H₃N • 2CH₄O) + C₂H₃N = (C₂H₄N⁺ • 2C₂H₃N • 2CH₄O)

(C₂H₄N⁺ • ) +  = (C₂H₄N⁺ • 2)

By formula: (C₂H₄N⁺ • C₂H₃N) + C₂H₃N = (C₂H₄N⁺ • 2C₂H₃N)

(C₂H₄N⁺ • ) +  = (C₂H₄N⁺ •  • )

By formula: (C₂H₄N⁺ • C₂H₃N) + H₂O = (C₂H₄N⁺ • H₂O • C₂H₃N)

Bond type: Hydrogen bond (positive ion to hydride)

(C₂H₄N⁺ •  • ) +  = (C₂H₄N⁺ • 2 • )

By formula: (C₂H₄N⁺ • C₂H₃N • H₂O) + C₂H₃N = (C₂H₄N⁺ • 2C₂H₃N • H₂O)

(C₂H₄N⁺ •  • 4) +  = (C₂H₄N⁺ • 2 • 4)

By formula: (C₂H₄N⁺ • C₂H₃N • 4H₂O) + C₂H₃N = (C₂H₄N⁺ • 2C₂H₃N • 4H₂O)

Free energy of reaction

C₂H₄N⁺ +  = (C₂H₄N⁺ • )

By formula: C₂H₄N⁺ + H₂O = (C₂H₄N⁺ • H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

(C₂H₄N⁺ • ) +  = (C₂H₄N⁺ •  • )

By formula: (C₂H₄N⁺ • H₂O) + C₂H₃N = (C₂H₄N⁺ • C₂H₃N • H₂O)

(C₂H₄N⁺ •  • ) +  = (C₂H₄N⁺ • 2 • )

By formula: (C₂H₄N⁺ • H₂O • C₂H₃N) + H₂O = (C₂H₄N⁺ • 2H₂O • C₂H₃N)

Bond type: Hydrogen bond (positive ion to hydride)

(C₂H₄N⁺ •  • 2) +  = (C₂H₄N⁺ • 2 • 2)

By formula: (C₂H₄N⁺ • H₂O • 2C₂H₃N) + H₂O = (C₂H₄N⁺ • 2H₂O • 2C₂H₃N)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

(C₂H₄N⁺ • 2 • ) +  = (C₂H₄N⁺ • 3 • )

By formula: (C₂H₄N⁺ • 2H₂O • C₂H₃N) + H₂O = (C₂H₄N⁺ • 3H₂O • C₂H₃N)

Bond type: Hydrogen bond (positive ion to hydride)

(C₂H₄N⁺ • ) +  = (C₂H₄N⁺ • 2)

By formula: (C₂H₄N⁺ • H₂O) + H₂O = (C₂H₄N⁺ • 2H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

(C₂H₄N⁺ • 2) +  = (C₂H₄N⁺ • 3)

By formula: (C₂H₄N⁺ • 2H₂O) + H₂O = (C₂H₄N⁺ • 3H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

(C₂H₄N⁺ • 3) +  = (C₂H₄N⁺ • 4)

By formula: (C₂H₄N⁺ • 3H₂O) + H₂O = (C₂H₄N⁺ • 4H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

(C₂H₄N⁺ • 4) +  = (C₂H₄N⁺ • 5)

By formula: (C₂H₄N⁺ • 4H₂O) + H₂O = (C₂H₄N⁺ • 5H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

(C₂H₄N⁺ • 5) +  = (C₂H₄N⁺ • 6)

By formula: (C₂H₄N⁺ • 5H₂O) + H₂O = (C₂H₄N⁺ • 6H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

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]

El-Shall, Olafsdottir, et al., 1991
El-Shall, M.S.; Olafsdottir, S.; Meot-ner (Mautner), M.; Sieck, L.W., Energy effects on cluster ion distributions: Beam expansion and thermochemical studies on mixed clusters of methanol and acetonitrile, Chem. Phys. Lett., 1991, 185, 3-4, 193, https://doi.org/10.1016/S0009-2614(91)85046-Y . [all data]

Honma, Sunderlin, et al., 1993
Honma, K.; Sunderlin, L.S.; Armentrout, P.B., Guided-Ion Beam Studies of the Reactions of Protonated Water Clusters, H(H2O)n+ (n = 1-4), with Acetonitrile, J. Chem. Phys., 1993, 99, 3, 1623, https://doi.org/10.1063/1.465331 . [all data]

Allison, Cramer, et al., 1991
Allison, C.E.; Cramer, J.A.; Hop, C.E.C.A.; Szulejko, J.E.; McMahon, T.B., Strong Hydrogen Bonding in Gas - Phase Ions. A High - Pressure Mass Spectrometric Study of the Proton Affinity, Proton Transfer Kinetics, and Hydrogen - Bonding Capability of Iron Pentacarbonyl, J. Am. Chem. Soc., 1991, 113, 12, 4469, https://doi.org/10.1021/ja00012a014 . [all data]

Deakyne, Meot-Ner (Mautner), et al., 1986
Deakyne, C.A.; Meot-Ner (Mautner), M.; Campbell, C.L.; Hughes, M.G.; Murphy, S.P., Multicomponent Cluster Ions. 1. The Acetonitrile - Water System, J. Chem. Phys., 1986, 90, 4648. [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), 1984
Meot-Ner (Mautner), M., The Ionic Hydrogen Bond and Ion Solvation. 2. Hydration of Onium Ions by 1 - 7 H2O Molecules. Relations Between Monomolecular, Specific and Bulk Hydration, J. Am. Chem. Soc., 1984, 106, 5, 1265, https://doi.org/10.1021/ja00317a016 . [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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