Methanone, dicyclopropyl-, protonated


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

C7H11O+ + Hydrogen cyanide = (C7H11O+ • Hydrogen cyanide)

By formula: C7H11O+ + CHN = (C7H11O+ • CHN)

Quantity Value Units Method Reference Comment
Δr73.6kJ/molPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase
Quantity Value Units Method Reference Comment
Δr97.1J/mol*KPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase

C7H11O+ + Acetonitrile = (C7H11O+ • Acetonitrile)

By formula: C7H11O+ + C2H3N = (C7H11O+ • C2H3N)

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
59.8320.ICRBromilow, Abboud, et al., 1980gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973

C7H11O+ + Water = (C7H11O+ • Water)

By formula: C7H11O+ + H2O = (C7H11O+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr69.0kJ/molPHPMSMeot-Ner (Mautner), 1984gas phase
Quantity Value Units Method Reference Comment
Δr109.J/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase

(C7H11O+ • Water) + Water = (C7H11O+ • 2Water)

By formula: (C7H11O+ • H2O) + H2O = (C7H11O+ • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr46.9kJ/molPHPMSMeot-Ner (Mautner), 1984gas phase
Quantity Value Units Method Reference Comment
Δr93.3J/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase

(C7H11O+ • 2Water) + Water = (C7H11O+ • 3Water)

By formula: (C7H11O+ • 2H2O) + H2O = (C7H11O+ • 3H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr37.kJ/molPHPMSMeot-Ner (Mautner), 1984gas phase
Quantity Value Units Method Reference Comment
Δr71.5J/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase

(C7H11O+ • 3Water) + Water = (C7H11O+ • 4Water)

By formula: (C7H11O+ • 3H2O) + H2O = (C7H11O+ • 4H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr38.kJ/molPHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Δr87.0J/mol*KN/AMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
15.269.PHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated

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]

Bromilow, Abboud, et al., 1980
Bromilow, J.; Abboud, J.L.M.; Lebrilla, C.B.; Taft, R.W.; Scorrano, G.; Lucchini, V., Oxonium Ions. Solvation by Single Acetonitrile Molecules in the Gas Phase and by Bulk Solvents, J. Am. Chem. Soc., 1980, 103, 18, 5448, https://doi.org/10.1021/ja00408a028 . [all data]

Grimsrud and Kebarle, 1973
Grimsrud, E.P.; Kebarle, P., Gas Phase Ion Equilibria Studies of the Solvation of the Hydrogen Ion by Methanol, Dimethyl Ether and Water. Effect of Hydrogen Bonding, J. Am. Chem. Soc., 1973, 95, 24, 7939, https://doi.org/10.1021/ja00805a002 . [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

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